 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer05_M11-augccpVDZr.in
 Output=12_L-valine_conformer05_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/Gau-48985.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/12_L-valine/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     48986.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=12_L-valine_conformer05_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:50:31 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer05_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.066458000000     -1.742250000000      0.058829000000
  C                                                 1.144781000000     -0.237615000000      0.319196000000
  C                                                 0.017403000000      0.519585000000     -0.407509000000
  C                                                -1.339934000000     -0.122015000000     -0.159849000000
  O                                                -1.699602000000     -0.061835000000      1.148390000000
  C                                                 2.507306000000      0.318287000000     -0.090613000000
  N                                                 0.026381000000      1.937057000000     -0.047760000000
  O                                                -2.052705000000     -0.609463000000     -0.998100000000
  H                                                 0.182303000000      0.443607000000     -1.483828000000
  H                                                 1.004355000000     -0.066187000000      1.392046000000
  H                                                -2.578745000000     -0.464892000000      1.218746000000
  H                                                -0.631756000000      2.459844000000     -0.613015000000
  H                                                -0.239946000000      2.056537000000      0.923147000000
  H                                                 3.302392000000     -0.158123000000      0.485808000000
  H                                                 2.698710000000      0.120238000000     -1.148924000000
  H                                                 2.557607000000      1.394116000000      0.066259000000
  H                                                 1.885722000000     -2.256885000000      0.562881000000
  H                                                 0.132400000000     -2.176666000000      0.418486000000
  H                                                 1.144663000000     -1.956563000000     -1.009918000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Sun Sep 26 19:50:31 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.529004   0.000000
     3  C    2.536510   1.540270   0.000000
     4  C    2.909245   2.533112   1.521627   0.000000
     5  O    3.414971   2.967992   2.388928   1.358113   0.000000
     6  C    2.518767   1.527562   2.518047   3.872972   4.402010
     7  N    3.824973   2.472787   1.462439   2.473693   2.899200
     8  O    3.482741   3.478140   2.430822   1.203459   2.243211
     9  H    2.817710   2.154373   1.091525   2.095246   3.274998
    10  H    2.142548   1.095497   2.134385   2.811972   2.714916
    11  H    4.032934   3.837381   3.217745   1.884872   0.969689
    12  H    4.581801   3.361753   2.056270   2.715303   3.256026
    13  H    4.109078   2.746882   2.049169   2.670008   2.582408
    14  H    2.773296   2.165494   3.471089   4.687149   5.046606
    15  H    2.755318   2.167517   2.810442   4.165045   4.965476
    16  H    3.472805   2.173155   2.727984   4.188150   4.627594
    17  H    1.090922   2.164677   3.484402   3.935081   4.244480
    18  H    1.091116   2.189679   2.822279   2.593035   2.891626
    19  H    1.092825   2.172861   2.786561   3.203343   4.042045
                    6          7          8          9         10
     6  C    0.000000
     7  N    2.962641   0.000000
     8  O    4.741092   3.422062   0.000000
     9  H    2.713373   2.077738   2.517965   0.000000
    10  H    2.145917   2.653764   3.918362   3.034190   0.000000
    11  H    5.309963   3.762988   2.282986   3.968962   3.609377
    12  H    3.835737   1.012899   3.404120   2.342268   3.616346
    13  H    3.405380   1.013837   3.752978   2.928031   2.504817
    14  H    1.091508   3.925140   5.575191   3.738516   2.471982
    15  H    1.093563   3.413903   4.809486   2.559108   3.059758
    16  H    1.088369   2.591311   5.138304   2.991372   2.510535
    17  H    2.728540   4.628086   4.545533   3.792534   2.502695
    18  H    3.481975   4.141418   3.039330   3.238382   2.482387
    19  H    2.806574   4.163722   3.469579   2.628981   3.059843
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.962347   0.000000
    13  H    3.451806   1.635838   0.000000
    14  H    5.934566   4.851668   4.200493   0.000000
    15  H    5.813757   4.105235   4.083923   1.764728   0.000000
    16  H    5.582674   3.430631   2.999894   1.772053   1.766167
    17  H    4.855189   5.474300   4.822226   2.533317   3.040056
    18  H    3.304678   4.810941   4.279408   3.758710   3.783978
    19  H    4.588659   4.776803   4.664639   3.182354   2.597593
                   16         17         18         19
    16  H    0.000000
    17  H    3.745380   0.000000
    18  H    4.330840   1.761086   0.000000
    19  H    3.792310   1.764386   1.764500   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.066458   -1.742250    0.058829
      2          6           0        1.144781   -0.237615    0.319196
      3          6           0        0.017403    0.519585   -0.407509
      4          6           0       -1.339934   -0.122015   -0.159849
      5          8           0       -1.699602   -0.061835    1.148390
      6          6           0        2.507306    0.318287   -0.090613
      7          7           0        0.026381    1.937057   -0.047760
      8          8           0       -2.052705   -0.609463   -0.998100
      9          1           0        0.182303    0.443607   -1.483828
     10          1           0        1.004355   -0.066187    1.392046
     11          1           0       -2.578745   -0.464892    1.218746
     12          1           0       -0.631756    2.459844   -0.613015
     13          1           0       -0.239946    2.056537    0.923147
     14          1           0        3.302392   -0.158123    0.485808
     15          1           0        2.698710    0.120238   -1.148924
     16          1           0        2.557607    1.394116    0.066259
     17          1           0        1.885722   -2.256885    0.562881
     18          1           0        0.132400   -2.176666    0.418486
     19          1           0        1.144663   -1.956563   -1.009918
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.8491417           1.5403062           1.2504232
 Leave Link  202 at Sun Sep 26 19:50:31 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.3201849877 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Sun Sep 26 19:50:33 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.67D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Sun Sep 26 19:50:34 2021, MaxMem=  6442450944 cpu:               3.1 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:50:34 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer05_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:50:34 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442266785 LenY=  6442176943
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.208047256651    
 DIIS: error= 3.65D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.208047256651     IErMin= 1 ErrMin= 3.65D-03
 ErrMax= 3.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-02 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.65D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.440 Goal=   None    Shift=    0.000
 GapD=    0.440 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.72D-02 MaxDP=1.64D+00              OVMax= 2.03D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.67D-02    CP:  1.16D+00
 E= -402.219939390474     Delta-E=       -0.011892133823 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.219939390474     IErMin= 2 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.34D-04 BMatP= 1.26D-02
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com:  0.241D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.239D-02 0.998D+00
 Gap=     0.347 Goal=   None    Shift=    0.000
 RMSDP=3.20D-03 MaxDP=4.01D-01 DE=-1.19D-02 OVMax= 7.75D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.22D-03    CP:  1.19D+00  1.17D+00
 E= -402.220286735881     Delta-E=       -0.000347345407 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.220286735881     IErMin= 3 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.77D-04 BMatP= 6.34D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com: -0.505D-01 0.509D+00 0.542D+00
 Coeff-En:   0.000D+00 0.211D+00 0.789D+00
 Coeff:     -0.499D-01 0.505D+00 0.545D+00
 Gap=     0.345 Goal=   None    Shift=    0.000
 RMSDP=3.86D-04 MaxDP=4.35D-02 DE=-3.47D-04 OVMax= 3.68D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.67D-04    CP:  1.19D+00  1.19D+00  1.09D+00
 E= -402.220669915520     Delta-E=       -0.000383179639 Rises=F Damp=F
 DIIS: error= 1.45D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.220669915520     IErMin= 4 ErrMin= 1.45D-04
 ErrMax= 1.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 5.77D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.45D-03
 Coeff-Com: -0.111D-01 0.429D-01 0.119D+00 0.849D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.110D-01 0.429D-01 0.119D+00 0.850D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=4.88D-03 DE=-3.83D-04 OVMax= 1.49D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.44D-05    CP:  1.19D+00  1.19D+00  1.14D+00  1.13D+00
 E= -402.220683546589     Delta-E=       -0.000013631069 Rises=F Damp=F
 DIIS: error= 1.03D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.220683546589     IErMin= 5 ErrMin= 1.03D-04
 ErrMax= 1.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.60D-06 BMatP= 1.33D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.03D-03
 Coeff-Com:  0.306D-02-0.640D-01-0.373D-01 0.431D+00 0.667D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.306D-02-0.640D-01-0.372D-01 0.431D+00 0.668D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.27D-05 MaxDP=3.24D-03 DE=-1.36D-05 OVMax= 7.29D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.76D-05    CP:  1.19D+00  1.19D+00  1.15D+00  1.23D+00  1.29D+00
 E= -402.220688707111     Delta-E=       -0.000005160521 Rises=F Damp=F
 DIIS: error= 2.66D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.220688707111     IErMin= 6 ErrMin= 2.66D-05
 ErrMax= 2.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-07 BMatP= 5.60D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.239D-02-0.288D-01-0.286D-01 0.717D-01 0.254D+00 0.729D+00
 Coeff:      0.239D-02-0.288D-01-0.286D-01 0.717D-01 0.254D+00 0.729D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.50D-05 MaxDP=1.56D-03 DE=-5.16D-06 OVMax= 3.20D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.74D-06    CP:  1.19D+00  1.19D+00  1.15D+00  1.24D+00  1.37D+00
                    CP:  1.24D+00
 E= -402.220689179574     Delta-E=       -0.000000472463 Rises=F Damp=F
 DIIS: error= 6.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.220689179574     IErMin= 7 ErrMin= 6.15D-06
 ErrMax= 6.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-08 BMatP= 3.95D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.301D-04 0.368D-02-0.977D-04-0.499D-01-0.422D-01 0.153D+00
 Coeff-Com:  0.935D+00
 Coeff:      0.301D-04 0.368D-02-0.977D-04-0.499D-01-0.422D-01 0.153D+00
 Coeff:      0.935D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=1.30D-03 DE=-4.72D-07 OVMax= 1.89D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.97D-06    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.40D+00
                    CP:  1.29D+00  1.35D+00
 E= -402.220689253023     Delta-E=       -0.000000073449 Rises=F Damp=F
 DIIS: error= 1.79D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.220689253023     IErMin= 8 ErrMin= 1.79D-06
 ErrMax= 1.79D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.31D-09 BMatP= 3.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-03 0.277D-02 0.262D-02-0.122D-01-0.258D-01-0.509D-01
 Coeff-Com:  0.750D-01 0.101D+01
 Coeff:     -0.192D-03 0.277D-02 0.262D-02-0.122D-01-0.258D-01-0.509D-01
 Coeff:      0.750D-01 0.101D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=2.73D-06 MaxDP=1.43D-04 DE=-7.34D-08 OVMax= 7.69D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.40D-06    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.48D+00  1.26D+00
 E= -402.220689261274     Delta-E=       -0.000000008252 Rises=F Damp=F
 DIIS: error= 6.70D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.220689261274     IErMin= 9 ErrMin= 6.70D-07
 ErrMax= 6.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-10 BMatP= 2.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.488D-04 0.286D-03 0.714D-03 0.220D-02-0.108D-02-0.283D-01
 Coeff-Com: -0.832D-01 0.235D+00 0.874D+00
 Coeff:     -0.488D-04 0.286D-03 0.714D-03 0.220D-02-0.108D-02-0.283D-01
 Coeff:     -0.832D-01 0.235D+00 0.874D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=7.50D-07 MaxDP=6.49D-05 DE=-8.25D-09 OVMax= 2.41D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.29D-07    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.52D+00  1.36D+00  1.06D+00
 E= -402.220689262427     Delta-E=       -0.000000001153 Rises=F Damp=F
 DIIS: error= 3.50D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.220689262427     IErMin=10 ErrMin= 3.50D-07
 ErrMax= 3.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.85D-11 BMatP= 4.08D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-04-0.419D-03-0.322D-03 0.228D-02 0.434D-02 0.472D-02
 Coeff-Com: -0.227D-01-0.132D+00 0.959D-01 0.105D+01
 Coeff:      0.241D-04-0.419D-03-0.322D-03 0.228D-02 0.434D-02 0.472D-02
 Coeff:     -0.227D-01-0.132D+00 0.959D-01 0.105D+01
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=3.29D-07 MaxDP=2.92D-05 DE=-1.15D-09 OVMax= 1.18D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.47D-07    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.52D+00  1.37D+00  1.16D+00  1.31D+00
 E= -402.220689262637     Delta-E=       -0.000000000210 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.220689262637     IErMin=11 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.54D-12 BMatP= 4.85D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.921D-05-0.961D-04-0.133D-03 0.139D-03 0.774D-03 0.370D-02
 Coeff-Com:  0.443D-02-0.446D-01-0.751D-01 0.172D+00 0.939D+00
 Coeff:      0.921D-05-0.961D-04-0.133D-03 0.139D-03 0.774D-03 0.370D-02
 Coeff:      0.443D-02-0.446D-01-0.751D-01 0.172D+00 0.939D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=7.26D-08 MaxDP=4.07D-06 DE=-2.10D-10 OVMax= 2.97D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.47D-08    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.52D+00  1.37D+00  1.15D+00  1.38D+00
                    CP:  1.26D+00
 E= -402.220689262630     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 5.79D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -402.220689262637     IErMin=12 ErrMin= 5.79D-08
 ErrMax= 5.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.47D-12 BMatP= 6.54D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.212D-05 0.516D-04 0.203D-04-0.377D-03-0.590D-03 0.247D-03
 Coeff-Com:  0.555D-02 0.117D-01-0.403D-01-0.138D+00 0.282D+00 0.880D+00
 Coeff:     -0.212D-05 0.516D-04 0.203D-04-0.377D-03-0.590D-03 0.247D-03
 Coeff:      0.555D-02 0.117D-01-0.403D-01-0.138D+00 0.282D+00 0.880D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=4.61D-08 MaxDP=4.44D-06 DE= 7.16D-12 OVMax= 1.34D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.86D-08    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.52D+00  1.37D+00  1.14D+00  1.39D+00
                    CP:  1.34D+00  1.35D+00
 E= -402.220689262625     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 2.28D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -402.220689262637     IErMin=13 ErrMin= 2.28D-08
 ErrMax= 2.28D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-13 BMatP= 1.47D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.177D-05 0.246D-04 0.236D-04-0.995D-04-0.243D-03-0.502D-03
 Coeff-Com:  0.481D-03 0.896D-02 0.374D-02-0.529D-01-0.106D+00 0.168D+00
 Coeff-Com:  0.979D+00
 Coeff:     -0.177D-05 0.246D-04 0.236D-04-0.995D-04-0.243D-03-0.502D-03
 Coeff:      0.481D-03 0.896D-02 0.374D-02-0.529D-01-0.106D+00 0.168D+00
 Coeff:      0.979D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=1.40D-08 MaxDP=6.44D-07 DE= 5.46D-12 OVMax= 6.22D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.42D-09    CP:  1.19D+00  1.19D+00  1.14D+00  1.24D+00  1.39D+00
                    CP:  1.32D+00  1.52D+00  1.37D+00  1.14D+00  1.38D+00
                    CP:  1.37D+00  1.51D+00  1.25D+00
 E= -402.220689262641     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 5.12D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -402.220689262641     IErMin=14 ErrMin= 5.12D-09
 ErrMax= 5.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-14 BMatP= 1.87D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-06-0.449D-05 0.751D-08 0.439D-04 0.520D-04-0.888D-04
 Coeff-Com: -0.723D-03-0.666D-03 0.585D-02 0.136D-01-0.527D-01-0.991D-01
 Coeff-Com:  0.137D+00 0.996D+00
 Coeff:      0.109D-06-0.449D-05 0.751D-08 0.439D-04 0.520D-04-0.888D-04
 Coeff:     -0.723D-03-0.666D-03 0.585D-02 0.136D-01-0.527D-01-0.991D-01
 Coeff:      0.137D+00 0.996D+00
 Gap=     0.344 Goal=   None    Shift=    0.000
 RMSDP=6.12D-09 MaxDP=5.66D-07 DE=-1.63D-11 OVMax= 1.75D-07

 SCF Done:  E(RM11) =  -402.220689263     A.U. after   14 cycles
            NFock= 14  Conv=0.61D-08     -V/T= 2.0071
 KE= 3.994024527442D+02 PE=-1.753223180284D+03 EE= 5.442798532894D+02
 Leave Link  502 at Sun Sep 26 19:54:14 2021, MaxMem=  6442450944 cpu:            1757.0 elap:             220.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.82115739D+02

 Leave Link  801 at Sun Sep 26 19:54:15 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.64D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.39D-01 4.65D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 1.75D-02 2.10D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.87D-03 7.99D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.01D-04 1.94D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.66D-06 2.95D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.21D-07 3.87D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.49D-09 7.56D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 7.11D-11 1.14D-06.
     10 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.13D-12 1.20D-07.
      5 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.86D-14 1.35D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.884040D+02
      2  0.289009D+01  0.799636D+02
      3  0.534894D+00  0.130423D+01  0.742029D+02
 Isotropic polarizability for W=    0.088559       80.86 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.807177D+02 -0.192327D+02  0.571545D+01
      2  -0.326852D+02  0.180715D+02  0.384820D+01
      3  -0.480325D+02  0.116121D+01 -0.956365D+01
      4  -0.241212D+02  0.706517D+02 -0.845302D+01
      5  -0.428104D+00 -0.928432D+01  0.289851D+02
      6  -0.337709D+01 -0.209745D+01 -0.131621D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.119588D+00 -0.456368D+01  0.237634D+01
      2   0.189706D+01 -0.331556D+01  0.227318D+02
      3   0.642387D+01 -0.393258D+02  0.316055D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.831303D+00 -0.594566D+01  0.143233D+02
      2   0.614355D+01 -0.507593D+01  0.770176D+02
      3  -0.488855D+01 -0.103337D+03  0.590723D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.285330D+00  0.691392D+00 -0.102070D+01
      2   0.691392D+00  0.251501D+00  0.858587D+00
      3  -0.102070D+01  0.858587D+00 -0.240768D+00
 OR G Eigenvalues:    -1.8547     0.6706     0.9095  Iso=     0.0915
 Eigenvectors:
   (1)   0.617546  -0.462163   0.636430
   (2)   0.767290   0.531887  -0.358277
   (3)  -0.172927   0.709578   0.683078
 w=    0.088559 a.u., Optical Rotation Beta=      0.0915 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =       39.62 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.06D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.23D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.59D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.96D-02 2.06D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.12D-03 4.72D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.64D-05 4.63D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 3.29D-07 6.29D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 4.00D-09 6.68D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 3.02D-11 5.36D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 2.46D-13 5.39D-08.
      3 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 2.26D-15 4.67D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   243 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.38D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.38D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.37D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884040D+02  0.289009D+01  0.534894D+00
      2   0.289009D+01  0.799636D+02  0.130423D+01
      3   0.534894D+00  0.130423D+01  0.742029D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.119588D+00 -0.456368D+01  0.237634D+01
      2   0.189706D+01 -0.331556D+01  0.227318D+02
      3   0.642387D+01 -0.393258D+02  0.316055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.807177D+02 -0.192327D+02  0.571545D+01
      2  -0.326852D+02  0.180715D+02  0.384820D+01
      3  -0.480325D+02  0.116121D+01 -0.956365D+01
      4  -0.241212D+02  0.706517D+02 -0.845302D+01
      5  -0.428104D+00 -0.928432D+01  0.289851D+02
      6  -0.337709D+01 -0.209745D+01 -0.131621D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.106464D+01  0.516145D+01 -0.346268D+01  0.436854D+01 -0.670168D+00
      2   0.516145D+01 -0.104709D+01  0.471725D+00 -0.670168D+00 -0.330674D+01
      3  -0.346268D+01  0.471725D+00 -0.107377D+01  0.351447D+00 -0.128064D+01
                 6             7             8             9            10 
      1   0.351447D+00 -0.379399D+01  0.473488D+00 -0.122763D+01  0.120502D+00
      2  -0.128064D+01  0.473488D+00 -0.192236D+01  0.304890D+01 -0.454656D+01
      3   0.218851D+01 -0.122763D+01  0.304890D+01  0.547391D+01  0.219800D+01
                11            12            13            14            15 
      1  -0.454656D+01  0.219800D+01 -0.587378D+01  0.951170D+00 -0.215717D+00
      2   0.144067D+01 -0.304838D-01  0.951170D+00  0.481911D+01  0.862918D+00
      3  -0.304838D-01  0.146327D+01 -0.215717D+00  0.862918D+00 -0.164730D+01
                16            17            18            19            20 
      1   0.397968D+01 -0.705224D-01  0.207662D+01 -0.593365D+00  0.457409D+01
      2  -0.705224D-01  0.157132D+01 -0.210767D+01  0.457409D+01  0.496658D-01
      3   0.207662D+01 -0.210767D+01 -0.849709D+01 -0.244491D+01 -0.158557D+00
                21            22            23            24            25 
      1  -0.244491D+01  0.378879D+01 -0.114650D+01 -0.371018D+00 -0.295427D+01
      2  -0.158557D+00 -0.114650D+01 -0.383399D+01 -0.134349D+01  0.828039D-01
      3  -0.948841D+00 -0.371018D+00 -0.134349D+01  0.136838D+01 -0.151208D+01
                26            27            28            29            30 
      1   0.828039D-01 -0.151208D+01 -0.236345D+00 -0.287564D+00  0.350056D+01
      2  -0.202149D+01  0.100725D+01 -0.287564D+00  0.160348D+01  0.135987D+01
      3   0.100725D+01  0.675796D+01  0.350056D+01  0.135987D+01  0.192480D+01
                31            32            33            34            35 
      1   0.473779D+00  0.721189D+00  0.158211D+01  0.427790D+01  0.162750D+01
      2   0.721189D+00  0.146804D+00  0.146928D+01  0.162750D+01  0.225993D+01
      3   0.158211D+01  0.146928D+01  0.835533D+00  0.219597D+01  0.621814D+00
                36            37            38            39            40 
      1   0.219597D+01  0.531869D+01  0.179227D+01 -0.748927D+00  0.261379D+01
      2   0.621814D+00  0.179227D+01  0.678764D+00 -0.921879D+00  0.436143D+00
      3   0.255432D+00 -0.748927D+00 -0.921879D+00  0.110246D+01 -0.118802D+01
                41            42            43            44            45 
      1   0.436143D+00 -0.118802D+01  0.529926D+00 -0.407388D+00 -0.930330D+00
      2   0.106298D+01  0.100356D+01 -0.407388D+00  0.158649D+01  0.188666D+00
      3   0.100356D+01  0.835811D+00 -0.930330D+00  0.188666D+00  0.491285D+01
                46            47            48            49            50 
      1   0.318063D+00  0.397451D+01 -0.286156D+01  0.472393D+01 -0.137518D+01
      2   0.397451D+01 -0.411140D+00  0.484625D+00 -0.137518D+01 -0.578477D+01
      3  -0.286156D+01  0.484625D+00 -0.233264D+01  0.655406D+00 -0.148811D+01
                51            52            53            54            55 
      1   0.655406D+00 -0.436056D+01  0.310982D+00 -0.341766D+01  0.262518D+01
      2  -0.148811D+01  0.310982D+00 -0.154888D+01  0.167674D+01 -0.266330D+01
      3   0.193553D+01 -0.341766D+01  0.167674D+01  0.572794D+01  0.131568D+01
                56            57            58            59            60 
      1  -0.266330D+01  0.131568D+01 -0.113161D+01  0.256662D+01 -0.407603D+00
      2   0.219001D+01 -0.653789D+00  0.256662D+01  0.479896D+01  0.120339D+01
      3  -0.653789D+00  0.255517D+01 -0.407603D+00  0.120339D+01 -0.103544D+01
                61            62            63            64            65 
      1   0.186625D+01 -0.804356D+00  0.295864D+01 -0.695845D+01 -0.247076D+01
      2  -0.804356D+00  0.129487D+01 -0.809880D+00 -0.247076D+01 -0.246134D+01
      3   0.295864D+01 -0.809880D+00 -0.336048D+01 -0.421688D+01 -0.109383D+01
                66            67            68            69            70 
      1  -0.421688D+01 -0.281797D+01 -0.218775D+01 -0.116635D+01 -0.509447D+01
      2  -0.109383D+01 -0.218775D+01 -0.298486D+01 -0.275550D+01 -0.153069D+01
      3  -0.314815D+01 -0.116635D+01 -0.275550D+01 -0.174296D+01 -0.386768D+01
                71            72            73            74            75 
      1  -0.153069D+01 -0.386768D+01  0.530543D+00 -0.581859D+00 -0.914215D+00
      2  -0.334440D+01 -0.201240D+01 -0.581859D+00  0.395470D+00  0.294423D-01
      3  -0.201240D+01 -0.681897D+01 -0.914215D+00  0.294423D-01  0.952064D+00
                76            77            78            79            80 
      1  -0.691844D+00  0.215082D+00  0.418096D-01 -0.137554D+01  0.145302D+00
      2   0.215082D+00  0.384981D+00 -0.102176D+01  0.145302D+00 -0.140526D+01
      3   0.418096D-01 -0.102176D+01 -0.384676D+00  0.492521D+00  0.248136D-01
                81            82            83            84            85 
      1   0.492521D+00 -0.700292D+00  0.887034D+00  0.985728D+00  0.992651D+00
      2   0.248136D-01  0.887034D+00 -0.373951D+00 -0.566191D-01 -0.232300D+00
      3  -0.735085D+01  0.985728D+00 -0.566191D-01 -0.491461D+00 -0.393836D-01
                86            87            88            89            90 
      1  -0.232300D+00 -0.393836D-01  0.138918D+01 -0.934207D-01 -0.449799D+00
      2  -0.164935D+00  0.116043D+01 -0.934207D-01  0.166962D+01  0.932667D+00
      3   0.116043D+01  0.970848D+00 -0.449799D+00  0.932667D+00  0.848216D+01
                91            92            93            94            95 
      1  -0.725165D+01 -0.179729D+01  0.282921D+01 -0.254164D+01 -0.146880D+01
      2  -0.179729D+01 -0.138027D+01  0.719989D+00 -0.146880D+01 -0.986230D+00
      3   0.282921D+01  0.719989D+00 -0.232053D+01  0.109186D+01  0.826896D+00
                96            97            98            99           100 
      1   0.109186D+01  0.987425D+00  0.223649D+00 -0.103050D+01 -0.233146D+01
      2   0.826896D+00  0.223649D+00  0.414526D+00 -0.336067D+00  0.279686D+01
      3  -0.101214D+01 -0.103050D+01 -0.336067D+00  0.140423D+01 -0.121061D+01
               101           102           103           104           105 
      1   0.279686D+01 -0.121061D+01  0.239735D+01 -0.240435D+01  0.946135D+00
      2  -0.342467D+01  0.122359D+01 -0.240435D+01  0.446436D+01 -0.130994D+01
      3   0.122359D+01 -0.127777D+01  0.946135D+00 -0.130994D+01  0.120292D+01
               106           107           108           109           110 
      1  -0.208381D+01  0.161401D+01 -0.142760D+01 -0.278258D+00  0.840323D+00
      2   0.161401D+01 -0.289033D+01  0.173963D+01  0.840323D+00 -0.577852D+00
      3  -0.142760D+01  0.173963D+01 -0.175704D+01  0.412049D+00 -0.568465D+00
               111           112           113           114           115 
      1   0.412049D+00  0.687307D+00 -0.278466D+00 -0.477828D+00  0.136653D+01
      2  -0.568465D+00 -0.278466D+00  0.122823D+01  0.791865D+00 -0.656999D+00
      3  -0.100903D+01 -0.477828D+00  0.791865D+00  0.958218D+00 -0.128306D+01
               116           117           118           119           120 
      1  -0.656999D+00 -0.128306D+01  0.744320D+01 -0.180225D+01  0.256423D+01
      2   0.245625D+01  0.194866D+01 -0.180225D+01  0.131826D+01 -0.583552D+00
      3   0.194866D+01  0.526425D+01  0.256423D+01 -0.583552D+00  0.193747D+01
               121           122           123           124           125 
      1  -0.354923D+01  0.175737D+01 -0.860973D+00  0.416966D+01 -0.672130D+00
      2   0.175737D+01 -0.885271D+00  0.944235D+00 -0.672130D+00  0.116032D+01
      3  -0.860973D+00  0.944235D+00 -0.111062D+01  0.256219D+01 -0.851267D+00
               126           127           128           129           130 
      1   0.256219D+01  0.145655D+01 -0.411511D+00 -0.110590D+01 -0.109153D+01
      2  -0.851267D+00 -0.411511D+00  0.281960D+00  0.350406D-01  0.600396D+00
      3   0.171141D+01 -0.110590D+01  0.350406D-01  0.124005D+01  0.281557D+00
               131           132           133           134           135 
      1   0.600396D+00  0.281557D+00 -0.263149D+01 -0.729446D-01  0.278851D+01
      2   0.145083D+00 -0.869224D+00 -0.729446D-01 -0.127788D+01 -0.399937D+00
      3  -0.869224D+00 -0.102683D+01  0.278851D+01 -0.399937D+00 -0.731510D+01
               136           137           138           139           140 
      1   0.296637D+00  0.113460D+01  0.421395D+00  0.239994D+01  0.188316D+01
      2   0.113460D+01  0.103491D+01  0.641422D-01  0.188316D+01  0.806584D+01
      3   0.421395D+00  0.641422D-01  0.347026D+00  0.458219D-01  0.696033D+00
               141           142           143           144           145 
      1   0.458219D-01  0.836611D+00  0.175053D+00  0.738981D+00  0.460978D+01
      2   0.696033D+00  0.175053D+00  0.913028D+00  0.869683D+00 -0.331870D+01
      3   0.988039D+00  0.738981D+00  0.869683D+00 -0.106403D+00  0.191285D+01
               146           147           148           149           150 
      1  -0.331870D+01  0.191285D+01 -0.239079D+01  0.244033D+01 -0.844420D+00
      2   0.357173D+01 -0.115253D+01  0.244033D+01 -0.354727D+01  0.141242D+01
      3  -0.115253D+01  0.163944D+01 -0.844420D+00  0.141242D+01 -0.119214D+01
               151           152           153           154           155 
      1   0.227926D+01 -0.129030D+01  0.159399D+01 -0.567030D+01 -0.230594D+01
      2  -0.129030D+01  0.233258D+01 -0.177317D+01 -0.230594D+01 -0.326372D+01
      3   0.159399D+01 -0.177317D+01  0.139781D+01  0.143146D+01  0.702385D+00
               156           157           158           159           160 
      1   0.143146D+01 -0.171117D+01 -0.205069D+01  0.529719D+00  0.175246D+01
      2   0.702385D+00 -0.205069D+01 -0.247557D+01  0.894783D+00  0.661375D+00
      3  -0.109930D+01  0.529719D+00  0.894783D+00 -0.875669D+00 -0.943046D+00
               161           162           163           164           165 
      1   0.661375D+00 -0.943046D+00  0.236342D+00 -0.975399D+00 -0.605462D+00
      2   0.150102D+01 -0.122254D+01 -0.975399D+00  0.375112D+00  0.128904D+00
      3  -0.122254D+01  0.582477D+00 -0.605462D+00  0.128904D+00  0.539722D+00
               166           167           168           169           170 
      1  -0.646511D+00  0.242743D+00  0.454390D-01 -0.114076D+01  0.284589D+00
      2   0.242743D+00 -0.114671D+01 -0.119714D+01  0.284589D+00 -0.274937D+01
      3   0.454390D-01 -0.119714D+01 -0.125600D+01  0.681985D+00 -0.254590D+01
               171 
      1   0.681985D+00
      2  -0.254590D+01
      3  -0.676450D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.723681D+01  0.906231D+00 -0.192979D+01  0.426705D+00 -0.537579D+01
      2  -0.413581D+01  0.108595D+01  0.722035D+00  0.483688D+00 -0.117514D+01
      3  -0.955031D+01 -0.147127D+02  0.708256D+01 -0.783381D+01  0.558411D+01
                 6             7             8             9            10 
      1   0.302384D+01 -0.274330D+01  0.102446D+02  0.115897D+02 -0.287475D+00
      2   0.255782D+01 -0.337388D+01  0.366690D+01  0.654262D+01  0.344912D+01
      3   0.872693D+00  0.773625D+01  0.792450D+00 -0.149893D+01  0.763864D+01
                11            12            13            14            15 
      1  -0.710037D-01  0.378352D+00 -0.105029D+01  0.253692D+01 -0.308616D+01
      2  -0.410128D-01  0.500657D+01 -0.800787D+00  0.850948D+00 -0.233557D+01
      3  -0.351273D+01  0.138513D+00  0.283445D+01 -0.649858D+01 -0.139886D+01
                16            17            18            19            20 
      1   0.728982D+00  0.366919D+01 -0.279316D+01 -0.131379D+01 -0.176770D+01
      2  -0.201862D+01 -0.278879D+01 -0.112133D+02  0.348508D+01 -0.716994D-01
      3   0.178562D+01 -0.232337D+01  0.261765D+01 -0.146472D+01 -0.337979D+01
                21            22            23            24            25 
      1  -0.219714D+00 -0.165943D+01  0.262033D+01  0.124670D+00  0.800977D+00
      2   0.268130D+00  0.210563D+01 -0.354970D+00  0.221691D+00 -0.657191D+01
      3  -0.380838D+00  0.115411D+01 -0.470797D+01  0.214475D+01 -0.337997D+01
                26            27            28            29            30 
      1   0.508441D+01 -0.319504D+01 -0.217028D+01 -0.307742D+01  0.345293D+01
      2   0.314584D+00 -0.993851D+00 -0.422266D+01 -0.393940D+00  0.104320D+00
      3   0.205129D+01 -0.114354D+01 -0.891738D+01  0.506120D+01  0.967073D+00
                31            32            33            34            35 
      1   0.244640D+01 -0.102885D+01 -0.935661D+01  0.158461D+01 -0.515000D+01
      2   0.298632D+01 -0.176133D+01 -0.581784D+01 -0.135646D+01 -0.321503D+01
      3   0.193706D+02  0.121860D+02 -0.100236D+01 -0.626212D+00 -0.224806D+01
                36            37            38            39            40 
      1   0.345622D+01  0.205513D+01 -0.301837D+00 -0.281657D+00  0.277138D+00
      2  -0.229375D+01 -0.405181D+01 -0.990916D-01  0.802141D+00 -0.924817D+00
      3   0.943017D+00  0.358719D+01 -0.601481D+00 -0.159076D+01  0.524239D+00
                41            42            43            44            45 
      1   0.748806D+00 -0.392750D+00  0.558095D-01  0.532506D+01  0.620547D+00
      2  -0.345105D+01 -0.557537D+00 -0.619398D+01 -0.153654D+01 -0.883094D+01
      3   0.510264D+00  0.335249D+01  0.299615D+00  0.259915D+01  0.816395D+00
                46            47            48            49            50 
      1   0.123375D+01  0.492391D+00  0.771915D+00  0.134561D+01  0.203036D+01
      2  -0.994839D+01  0.139230D+01 -0.577695D+01  0.242780D+01 -0.449629D+01
      3  -0.104282D+02  0.138546D+01 -0.243674D+01  0.105813D+02  0.184664D+02
                51            52            53            54            55 
      1  -0.260553D+01  0.152306D+01  0.132896D+01 -0.287187D+01 -0.179898D+01
      2   0.513143D+01 -0.141162D+02  0.426354D+01  0.159292D+02  0.104537D+01
      3   0.398891D+01 -0.368028D+01  0.453592D+01 -0.656088D+01  0.689410D+01
                56            57            58            59            60 
      1   0.298789D+01 -0.733847D+01  0.231567D+01 -0.432432D+01 -0.251783D+01
      2   0.172830D+01  0.432156D+01 -0.315277D-01  0.387792D+00  0.123473D+01
      3  -0.122415D+02  0.185059D+01  0.201695D+01  0.597653D+01 -0.255056D+01
                61            62            63            64            65 
      1  -0.756900D+01  0.767320D+01  0.835885D+01  0.214947D+01  0.585369D+01
      2  -0.174600D+01  0.448556D+00 -0.979902D+00  0.312306D+00  0.113076D+00
      3   0.374903D+01 -0.209636D+01  0.725375D+01  0.248795D+01 -0.714632D+01
                66            67            68            69            70 
      1  -0.265494D+01 -0.617075D+00  0.232707D+01 -0.114187D+01  0.334817D+00
      2   0.853000D+01 -0.346513D+01  0.402711D+01  0.503934D+01 -0.176751D+01
      3  -0.722690D+00 -0.337888D+01 -0.818656D+01 -0.245030D+01 -0.401015D-01
                71            72            73            74            75 
      1   0.779238D+01 -0.195813D+01  0.103414D+01 -0.351065D+00 -0.345178D+00
      2   0.333421D+01  0.112429D+02  0.572306D+00 -0.543563D+00  0.752568D+00
      3  -0.159892D+01 -0.229962D+01  0.576890D+00 -0.786415D+00 -0.579135D+00
                76            77            78            79            80 
      1   0.668935D-03  0.435151D+00 -0.235793D+00 -0.585788D+00  0.350588D+01
      2  -0.767117D+00  0.274380D+00 -0.774278D-01 -0.379370D+01  0.259753D+00
      3   0.112109D+01  0.310000D-01 -0.112342D+00 -0.448107D+00  0.152619D+00
                81            82            83            84            85 
      1   0.366575D+01  0.100886D+01 -0.635896D+00 -0.187579D+00 -0.183822D+00
      2   0.890585D+00  0.257573D+01 -0.619175D+00 -0.499052D+00 -0.110944D+01
      3  -0.645361D-01 -0.902240D+00 -0.812302D+00 -0.300532D+00  0.130990D+01
                86            87            88            89            90 
      1   0.633942D+00 -0.407196D+00 -0.601949D+00  0.413286D+01  0.242471D+01
      2   0.186417D+01  0.121829D+01 -0.475976D+01  0.153281D+01  0.107051D+02
      3   0.173486D+00 -0.125439D+01 -0.146010D+00 -0.159078D+01 -0.687986D+00
                91            92            93            94            95 
      1  -0.143066D+01 -0.177099D+01 -0.823491D-01 -0.128573D+01 -0.139177D+01
      2   0.277810D+01  0.481964D+00  0.290743D+01  0.966354D+00 -0.192396D+00
      3  -0.186477D+01 -0.389563D+01  0.109619D+01 -0.154628D+01 -0.265073D+01
                96            97            98            99           100 
      1  -0.114214D+00  0.614658D+00  0.729002D+00 -0.395575D+00  0.262419D+01
      2   0.133499D+01 -0.439773D+00  0.979125D-01 -0.628766D+00 -0.148893D+01
      3   0.858973D+00  0.560648D+00  0.842535D+00 -0.505175D+00 -0.671467D+01
               101           102           103           104           105 
      1  -0.256188D+01  0.416066D+01 -0.246525D+01  0.214001D+01 -0.347823D+01
      2  -0.120885D+00  0.847300D+00  0.219161D+00  0.358832D-01 -0.709586D+00
      3   0.473149D+01 -0.298057D+01  0.744438D+01 -0.493131D+01  0.261113D+01
               106           107           108           109           110 
      1   0.348455D+01 -0.224754D+01  0.363828D+01 -0.116357D+01  0.109252D+01
      2  -0.119578D+01 -0.255116D+00  0.430084D+00  0.762634D+00  0.484167D-01
      3  -0.589268D+01  0.346819D+01 -0.377850D+01 -0.821652D+00  0.859525D+00
               111           112           113           114           115 
      1   0.343445D+01  0.109727D+01 -0.230244D+01 -0.264789D+01  0.370329D+01
      2  -0.102957D+00  0.166243D+00 -0.577630D-01 -0.131418D+00 -0.260642D+01
      3   0.822056D+00  0.191251D+01 -0.942108D+00 -0.122875D+01  0.366143D+01
               116           117           118           119           120 
      1  -0.293192D+01 -0.135759D+02 -0.646239D+00  0.724119D+00 -0.850596D-02
      2   0.916102D-01  0.509652D+00  0.680496D+01 -0.201341D+01  0.798035D+01
      3  -0.141113D+01 -0.379247D+01  0.722182D+01 -0.695734D+01  0.302458D+01
               121           122           123           124           125 
      1  -0.140913D-01 -0.751550D+00 -0.568559D+00 -0.426537D+00  0.167700D+01
      2  -0.218997D+01  0.265808D+01 -0.431730D+01  0.572252D+01 -0.272325D+01
      3  -0.479346D+01  0.408336D+01 -0.287186D+01  0.314384D+01 -0.467303D+01
               126           127           128           129           130 
      1  -0.389662D-01  0.603134D+00 -0.432011D+00 -0.801128D+00 -0.561891D-01
      2   0.555067D+01 -0.270536D+01  0.351163D-01  0.475056D+01  0.155692D+00
      3   0.347999D+01  0.167032D+01 -0.196694D+01 -0.686730D+00 -0.958957D+00
               131           132           133           134           135 
      1   0.672760D+00 -0.253317D+00 -0.995678D+00  0.338963D+01  0.316423D+01
      2  -0.217844D+01 -0.287475D+01  0.408746D+01 -0.143296D+01 -0.212334D+02
      3  -0.157880D+00  0.204028D+01 -0.514735D+00  0.426789D+01  0.276304D+01
               136           137           138           139           140 
      1  -0.233593D+00 -0.270346D+00 -0.627569D+00 -0.990487D-01 -0.865958D+00
      2   0.133980D+01  0.201059D-01  0.131888D+01 -0.144524D+00  0.225793D+01
      3  -0.337229D+01 -0.224065D+01  0.450319D-01  0.195768D+00 -0.238926D+02
               141           142           143           144           145 
      1  -0.284616D+01 -0.612054D+00  0.479996D+00  0.864755D-01  0.368626D+01
      2   0.347940D+01  0.567080D+00  0.228351D+01 -0.440462D+00  0.117411D+01
      3  -0.213023D+01  0.399575D+00 -0.259837D+01 -0.157820D+01 -0.654344D+01
               146           147           148           149           150 
      1  -0.130632D+01  0.457690D+01 -0.167269D+01  0.219053D+01 -0.372111D+01
      2  -0.113440D+01  0.354331D+01 -0.382784D+00  0.142619D+01 -0.216466D+01
      3   0.204358D-01 -0.273819D+01  0.445674D+01 -0.263063D+00  0.380885D+00
               151           152           153           154           155 
      1   0.312104D+01 -0.171832D+01  0.286283D+01  0.301284D+01  0.459466D+00
      2   0.301222D+00 -0.198385D+01  0.195185D+01  0.311066D+01  0.712466D+00
      3  -0.423820D+01 -0.902913D+00 -0.102147D+01  0.180016D+02  0.558241D+01
               156           157           158           159           160 
      1  -0.340183D+01  0.719024D+00  0.120257D+01 -0.275591D+01 -0.227534D+01
      2   0.446144D+00  0.657971D+00  0.113251D+01  0.263047D-01 -0.267417D+01
      3  -0.409067D+01  0.759774D+01  0.601996D+01 -0.210812D+01 -0.508006D+01
               161           162           163           164           165 
      1  -0.986324D+00  0.106534D+01 -0.112638D+01  0.301569D-01  0.110351D+01
      2  -0.112501D+01  0.375029D+00 -0.594427D+00  0.794330D-01  0.118729D+01
      3  -0.222297D+01  0.320650D+01  0.104903D+01  0.626180D+00  0.826433D+00
               166           167           168           169           170 
      1   0.212362D+00 -0.215774D+01 -0.412902D+01  0.130994D+01 -0.201101D+01
      2  -0.352769D+00 -0.124761D+01 -0.125792D+01 -0.226200D+01 -0.269053D+01
      3   0.218952D+01  0.657407D+00  0.112494D+01  0.271035D+01  0.295588D+01
               171 
      1  -0.154504D+02
      2  -0.778054D+01
      3   0.185097D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104616D+02  0.118520D+02 -0.820510D+01  0.902132D+01 -0.117255D+02
      2  -0.180602D+02 -0.442133D+01  0.337182D+01 -0.304875D+01  0.156110D+02
      3   0.759856D+01 -0.743064D+01  0.483328D+01 -0.597258D+01 -0.388551D+01
      4   0.816594D+01 -0.216606D+02  0.140578D+02 -0.187861D+02 -0.308597D+01
      5  -0.771214D+01  0.646417D+01 -0.529543D+01  0.432231D+01 -0.367822D+01
      6   0.170150D+02 -0.193072D+01  0.447079D+01 -0.178702D+01  0.815695D+01
                 6             7             8             9            10 
      1  -0.838515D+00 -0.901345D+01  0.934715D-01  0.505452D+01 -0.131406D+02
      2   0.554637D+01  0.264452D+01  0.697282D+01 -0.524971D+01  0.969960D+01
      3  -0.470786D+01  0.636893D+01 -0.706629D+01  0.195192D+00  0.344100D+01
      4  -0.421228D+01  0.134613D+02 -0.624563D+01  0.104374D+02 -0.131845D+02
      5   0.571947D+01 -0.639148D+01  0.804477D+01  0.127858D+02  0.624071D+01
      6  -0.962733D+01  0.526181D+01 -0.139679D+02 -0.205218D+02 -0.260440D+01
                11            12            13            14            15 
      1  -0.143366D+02  0.461083D+01 -0.169311D+02  0.111200D+02  0.191860D+01
      2   0.738425D+01 -0.473164D+01  0.987762D+01 -0.130062D+02 -0.267770D-01
      3   0.695239D+01  0.120811D+00  0.705352D+01  0.188613D+01 -0.189182D+01
      4   0.498120D+01 -0.125990D+01  0.534494D+01  0.929411D+01  0.213235D+01
      5  -0.196344D+00  0.304916D+01 -0.248896D+00  0.206819D+01 -0.501359D+01
      6   0.593127D+00 -0.100689D+01  0.934019D+00 -0.221037D+01  0.108840D+00
                16            17            18            19            20 
      1   0.100388D+02  0.259255D+01  0.104776D+02 -0.134293D+02 -0.477657D+01
      2  -0.525275D+01 -0.103732D+00  0.632563D+01  0.137915D+02  0.844774D+01
      3  -0.478609D+01 -0.248882D+01 -0.168033D+02 -0.362179D+00 -0.367117D+01
      4  -0.171275D+01  0.277134D+01 -0.499005D+01  0.194034D+01  0.210186D+01
      5   0.853554D+01 -0.430156D+01 -0.198760D+02  0.639178D+01  0.116029D+01
      6  -0.717809D+00  0.494479D+01  0.521382D+00  0.141449D+01 -0.159559D+00
                21            22            23            24            25 
      1   0.218142D+01  0.579185D+01  0.930490D+01  0.551478D+01 -0.425682D+01
      2  -0.289272D+01 -0.458861D+01 -0.176993D+02 -0.282540D+01 -0.344516D+00
      3   0.711301D+00 -0.120324D+01  0.839442D+01 -0.268938D+01  0.460134D+01
      4   0.250623D+01 -0.912450D+01 -0.158759D+00  0.155181D+01  0.116675D+01
      5  -0.504290D+00  0.325163D+01  0.398147D+01  0.341839D+00  0.287433D+00
      6   0.466104D+00  0.170380D+01 -0.887185D+00 -0.242345D+01 -0.278352D+00
                26            27            28            29            30 
      1   0.418105D+01  0.642439D+01 -0.712447D+01  0.804117D+00 -0.787930D+01
      2  -0.508433D+01  0.866986D+01  0.820222D+01 -0.986361D+00  0.598667D+01
      3   0.903287D+00 -0.150943D+02 -0.107775D+01  0.182244D+00  0.189262D+01
      4  -0.318741D+01  0.243976D+00 -0.486424D+01 -0.499101D+01 -0.642148D+01
      5   0.776314D+00  0.223529D+01 -0.178620D+02 -0.737957D+01 -0.176304D+02
      6   0.179374D+01  0.637786D+01 -0.484032D+01 -0.341515D+01 -0.552903D+01
                31            32            33            34            35 
      1  -0.288968D+01 -0.286472D+01 -0.438290D+01 -0.172547D+02 -0.704657D+01
      2  -0.928229D-01  0.531965D+01  0.505858D+01  0.779297D+01  0.238603D-01
      3   0.298250D+01 -0.245493D+01 -0.675680D+00  0.946177D+01  0.702271D+01
      4   0.349895D+01 -0.941745D+01 -0.278363D+01 -0.111105D+02 -0.514689D+01
      5  -0.106247D+02 -0.592967D+01 -0.999340D+01 -0.189484D+02 -0.341513D+01
      6  -0.154400D+01 -0.514242D+01  0.466155D+00 -0.758738D+00 -0.764867D+01
                36            37            38            39            40 
      1  -0.428530D+01 -0.161803D+02 -0.736772D+01  0.358645D+01 -0.114187D+02
      2   0.693047D+01  0.701659D+01  0.324941D+01 -0.682323D+00  0.700039D+01
      3  -0.264516D+01  0.916370D+01  0.411830D+01 -0.290413D+01  0.441831D+01
      4  -0.352850D+01 -0.111406D+02  0.173784D+00  0.516705D+01 -0.161352D+00
      5  -0.524192D+01  0.966250D+01  0.731013D+01  0.158417D+01  0.877539D+01
      6  -0.268188D+01  0.532980D+01  0.795146D+00 -0.196017D+01  0.184994D+01
                41            42            43            44            45 
      1  -0.586198D+01  0.492906D+01  0.124043D+01  0.116537D+01 -0.111602D+02
      2   0.478859D+01 -0.419100D+01  0.389103D+01  0.197365D+01 -0.111664D+02
      3   0.107340D+01 -0.738053D+00 -0.513146D+01 -0.313902D+01  0.223266D+02
      4  -0.357588D+01 -0.435424D+01  0.416433D+01 -0.351769D+01 -0.326616D+01
      5  -0.309385D+01 -0.405120D+01  0.108741D+02 -0.252026D+01 -0.208311D+02
      6   0.152005D+01  0.589150D+01 -0.244944D+01  0.810897D+01 -0.152166D+01
                46            47            48            49            50 
      1  -0.981923D+00  0.236921D+02 -0.189249D+02  0.273998D+02 -0.388946D+01
      2   0.160516D+01 -0.144752D+02  0.905554D+01 -0.178427D+02 -0.438580D+01
      3  -0.623238D+00 -0.921692D+01  0.986933D+01 -0.955704D+01  0.827526D+01
      4   0.233857D+02 -0.278017D+01  0.247820D+01 -0.720278D+01 -0.267401D+02
      5  -0.209429D+02  0.332882D+01 -0.144924D+02  0.445511D+01 -0.967916D+01
      6  -0.146587D+00 -0.348665D+00  0.110810D+00 -0.157855D+01 -0.253066D+01
                51            52            53            54            55 
      1   0.613407D+01 -0.246431D+02  0.359419D+01 -0.132483D+02  0.169081D+02
      2  -0.337239D+01  0.990476D+01 -0.180651D+01  0.155131D+02 -0.156415D+02
      3  -0.276168D+01  0.147384D+02 -0.178768D+01 -0.226483D+01 -0.126662D+01
      4  -0.765772D+01  0.324545D+01 -0.643982D+01  0.894988D+01  0.773886D+01
      5   0.112624D+02 -0.218603D+02  0.973205D+01  0.301768D+02 -0.256072D+01
      6   0.102493D+01  0.331424D+00 -0.854091D+00  0.166162D+01  0.571203D+01
                56            57            58            59            60 
      1  -0.336061D+01 -0.788328D-01 -0.682530D+01 -0.193660D+02 -0.417906D+01
      2   0.677455D+01 -0.230165D+01  0.126685D+02  0.325724D+02  0.522444D+01
      3  -0.341394D+01  0.238048D+01 -0.584322D+01 -0.132064D+02 -0.104538D+01
      4  -0.628052D+01  0.414558D+01  0.118284D+01  0.124752D+02 -0.402481D+01
      5   0.224330D+01  0.895678D+00 -0.587673D-01 -0.356568D+01  0.186952D+01
      6  -0.455129D+01  0.116132D+02 -0.506290D+01  0.580473D+01  0.142353D+01
                61            62            63            64            65 
      1   0.178625D+01 -0.124029D+01  0.151419D+01  0.380601D+02  0.820970D+01
      2  -0.253078D+01  0.590120D+01 -0.159246D+01 -0.248225D+02 -0.391339D+01
      3   0.744533D+00 -0.466091D+01  0.782765D-01 -0.132375D+02 -0.429631D+01
      4   0.465787D+01 -0.336614D+01  0.107778D+02  0.130925D+02  0.151984D+02
      5   0.215377D+01  0.375994D+01  0.506159D+00  0.281850D+02  0.685991D+01
      6   0.144952D+02 -0.819996D+00 -0.133997D+02  0.525971D+01  0.616613D+01
                66            67            68            69            70 
      1   0.136536D+02  0.480841D+01  0.574496D-01 -0.168109D+00  0.159202D+02
      2  -0.116888D+02 -0.372851D+00  0.597612D+01  0.319064D+00 -0.155753D+02
      3  -0.196482D+01 -0.443556D+01 -0.603357D+01 -0.150956D+00 -0.344856D+00
      4   0.682901D+01  0.168321D+02  0.172360D+02  0.113327D+02  0.813133D+01
      5   0.272903D+02  0.839216D+01  0.128956D+02  0.108672D+02  0.282872D+02
      6   0.503427D+01  0.506901D+01  0.891197D+01  0.113748D+02  0.544213D+01
                71            72            73            74            75 
      1   0.207887D+01  0.206968D+01  0.936510D+00 -0.445326D-01 -0.789550D-02
      2  -0.281765D+01 -0.145337D+02 -0.426712D+01  0.231678D-01  0.141111D+01
      3   0.738776D+00  0.124640D+02  0.333061D+01  0.213648D-01 -0.140321D+01
      4   0.104840D+02  0.793240D+01  0.646866D+00  0.144405D+01 -0.123475D+01
      5   0.973168D+01  0.345056D+02 -0.239780D+01 -0.305702D+00  0.623930D+01
      6   0.118325D+02  0.881797D+01 -0.128593D+01 -0.772854D+00  0.789767D+00
                76            77            78            79            80 
      1   0.174718D+00 -0.394131D+01 -0.429401D+00  0.547855D+00  0.148613D+01
      2   0.170389D+00  0.107734D+01 -0.157762D+01  0.191971D+01 -0.221076D+01
      3  -0.345107D+00  0.286397D+01  0.200702D+01 -0.246756D+01  0.724623D+00
      4   0.190074D+01 -0.225547D+00 -0.631753D+00 -0.646403D+00  0.817850D-02
      5  -0.170906D-01 -0.102741D+01 -0.658697D+00  0.435378D+01  0.317000D+00
      6  -0.584517D+00 -0.374402D+00  0.567458D+01  0.226443D+00  0.402122D+01
                81            82            83            84            85 
      1  -0.155596D+02  0.161692D+01  0.229180D+01  0.269822D+01  0.293161D+01
      2  -0.143544D+02 -0.447936D+01 -0.747157D+00  0.190161D+00 -0.156291D+01
      3   0.299141D+02  0.286245D+01 -0.154464D+01 -0.288838D+01 -0.136870D+01
      4   0.859445D+00  0.210321D+01  0.745018D+00  0.925332D-01  0.127984D+01
      5  -0.302779D+01  0.698291D+00  0.253883D+00  0.507714D+01 -0.122301D-01
      6  -0.727875D+01  0.123539D+00 -0.422951D+00 -0.439591D+00 -0.280759D+00
                86            87            88            89            90 
      1  -0.481921D+01 -0.163389D+01  0.434929D+01 -0.853951D+00 -0.173513D+02
      2   0.149741D+01 -0.113346D+01 -0.140821D+01 -0.247357D+01 -0.154722D+02
      3   0.332180D+01  0.276735D+01 -0.294108D+01  0.332752D+01  0.328235D+02
      4  -0.475020D+00  0.218943D+01  0.488277D+00  0.294714D+01  0.251257D+01
      5   0.242253D+01  0.204138D+01  0.275314D+01  0.197200D+01  0.178933D+02
      6   0.194603D+01  0.687823D+01  0.108598D+00  0.390319D+01  0.188601D+00
                91            92            93            94            95 
      1   0.341996D+02  0.766219D+01 -0.110941D+02  0.920399D+01  0.447956D+01
      2  -0.197655D+02 -0.401191D+01  0.826691D+01 -0.422349D+01 -0.998868D+00
      3  -0.144341D+02 -0.365028D+01  0.282720D+01 -0.498050D+01 -0.348069D+01
      4   0.102028D+02  0.695321D+01 -0.407360D+01  0.982224D+01  0.572084D+01
      5  -0.224320D+02 -0.567218D+01  0.139799D+02 -0.815370D+01 -0.530026D+01
      6  -0.500357D+01 -0.304606D+01  0.279143D+01 -0.398922D+01 -0.281992D+01
                96            97            98            99           100 
      1  -0.343240D+01 -0.149259D+01 -0.275639D-01  0.257380D+01 -0.237304D+01
      2   0.256535D+01  0.354256D+01  0.850641D+00 -0.402437D+01  0.851927D+01
      3   0.867053D+00 -0.204997D+01 -0.823077D+00  0.145057D+01 -0.614623D+01
      4  -0.411793D+01 -0.101270D+01 -0.104560D+01  0.165469D+01 -0.116625D+02
      5   0.556607D+01  0.755291D+01  0.204549D+01 -0.736911D+01  0.353137D+01
      6   0.307870D+01  0.133503D+01  0.148502D+01 -0.169402D+01 -0.711473D+01
               101           102           103           104           105 
      1   0.683072D+01 -0.205745D+01  0.453991D+01 -0.106898D+02  0.329390D+01
      2  -0.141151D+02  0.400380D+01 -0.993342D+01  0.199348D+02 -0.589001D+01
      3   0.728435D+01 -0.194635D+01  0.539351D+01 -0.924494D+01  0.259611D+01
      4   0.159745D+02 -0.624933D+01  0.135572D+02 -0.128510D+02  0.523778D+01
      5  -0.329132D+01  0.391211D+01 -0.152403D+01  0.291848D+01 -0.175423D+01
      6   0.845632D+01 -0.761237D+01  0.646800D+01 -0.882031D+01  0.765913D+01
               106           107           108           109           110 
      1  -0.346029D+01  0.643967D+01 -0.532775D+01 -0.190249D+01  0.167819D+01
      2   0.473813D+01 -0.913722D+01  0.432510D+01  0.245441D+01 -0.216578D+01
      3  -0.127784D+01  0.269754D+01  0.100265D+01 -0.551922D+00  0.487584D+00
      4  -0.855988D+01  0.784530D+01 -0.673778D+01 -0.118257D+01  0.462348D+01
      5   0.381940D+01 -0.315847D+01  0.336912D+01 -0.129868D+01  0.802451D+00
      6  -0.796858D+01  0.110050D+02 -0.920123D+01  0.131989D+01 -0.355128D+01
               111           112           113           114           115 
      1   0.200582D+01  0.590903D+00 -0.402252D+01 -0.222456D+01  0.142462D+01
      2  -0.159826D+01 -0.100796D+01  0.540667D+01  0.312397D+01 -0.129086D+01
      3  -0.407556D+00  0.417059D+00 -0.138415D+01 -0.899409D+00 -0.133761D+00
      4   0.167911D+01  0.413393D+01 -0.172670D+01 -0.255499D+01  0.503114D+01
      5   0.262304D+01  0.383055D+00 -0.131821D+01 -0.108921D+01  0.246734D+01
      6  -0.527083D+01 -0.287987D+01  0.369195D+01  0.681615D+01 -0.621197D+01
               116           117           118           119           120 
      1  -0.716247D+01 -0.899198D+01  0.549896D+02 -0.119102D+02  0.172268D+02
      2   0.802398D+01  0.153091D+01 -0.302295D+02  0.613211D+01 -0.103527D+02
      3  -0.861516D+00  0.746106D+01 -0.247601D+02  0.577804D+01 -0.687413D+01
      4  -0.359881D+01 -0.474905D+01 -0.117115D+02  0.105796D+02 -0.384185D+01
      5  -0.190995D+01 -0.368560D+01  0.202084D+02 -0.462051D+01  0.159608D+02
      6   0.103410D+02  0.234141D+02 -0.271897D+00  0.622247D+00  0.550024D-01
               121           122           123           124           125 
      1  -0.218077D+02  0.841452D+01 -0.502616D+01  0.250619D+02 -0.365403D+01
      2   0.116690D+02 -0.225691D+01  0.311944D+01 -0.154301D+02  0.241839D+01
      3   0.101388D+02 -0.615761D+01  0.190672D+01 -0.963183D+01  0.123564D+01
      4   0.131770D+02 -0.767739D+01  0.606558D+01 -0.475131D+01  0.743506D+01
      5  -0.703769D+01  0.628589D+01 -0.812137D+01  0.200813D+02 -0.594571D+01
      6   0.153332D+01 -0.147390D+01  0.190369D+01 -0.685340D+00  0.225699D+01
               126           127           128           129           130 
      1   0.124644D+02  0.916915D+01 -0.273312D+01 -0.613025D+01 -0.603767D+01
      2  -0.113196D+02 -0.770806D+01  0.179534D+01  0.524331D+01  0.396865D+01
      3  -0.114470D+01 -0.146109D+01  0.937784D+00  0.886932D+00  0.206902D+01
      4  -0.515178D+01 -0.228160D+01  0.281209D+01  0.131889D+00  0.445221D+01
      5   0.136275D+02 -0.781786D+01  0.552118D+00  0.128733D+02  0.222523D+01
      6  -0.129175D+01  0.102409D+00 -0.157963D+00  0.794767D+00 -0.150356D+01
               131           132           133           134           135 
      1   0.466914D+00 -0.525949D-01 -0.124263D+02 -0.943929D+00  0.330162D+01
      2  -0.352023D+00 -0.126172D+01  0.114732D+02 -0.194745D+00 -0.181764D+02
      3  -0.114891D+00  0.131432D+01  0.953067D+00  0.113867D+01  0.148748D+02
      4   0.414325D+00 -0.491589D+01 -0.664634D+00 -0.722889D+01 -0.294906D+01
      5  -0.460339D+01 -0.572026D+01  0.212039D+02 -0.279908D+01 -0.428469D+02
      6   0.142888D+01  0.411554D+01  0.314570D+00  0.453482D+01 -0.198204D+01
               136           137           138           139           140 
      1   0.227192D+01  0.403628D+01  0.260408D+01  0.115514D+02 -0.986917D+00
      2   0.171059D+01  0.590433D+00 -0.126076D+01 -0.314266D+01  0.159810D+02
      3  -0.398251D+01 -0.462671D+01 -0.134332D+01 -0.840871D+01 -0.149941D+02
      4   0.568367D+01  0.108071D+02  0.654043D+00  0.157110D+02  0.413837D+02
      5   0.255095D+01  0.311816D+00  0.282873D+01  0.251356D+00  0.483953D+01
      6   0.351151D+00 -0.126452D+00  0.769837D+00  0.799931D+00  0.210908D+01
               141           142           143           144           145 
      1  -0.102533D+01  0.464434D+01 -0.797084D+00  0.927874D+00  0.136871D+02
      2   0.154224D+01 -0.206748D+01  0.117629D+01 -0.101926D+01  0.120549D+01
      3  -0.516906D+00 -0.257686D+01 -0.379210D+00  0.913902D-01 -0.148926D+02
      4   0.392229D+01  0.132582D+01  0.432777D+01  0.397016D+01 -0.274874D+02
      5   0.629257D+01  0.542339D+01  0.466595D+01 -0.734515D+00  0.957793D+01
      6   0.464405D+01  0.109246D+01  0.543608D+01  0.146313D+01 -0.986953D+01
               146           147           148           149           150 
      1  -0.307097D+01  0.348339D+01 -0.201753D+01 -0.298103D+01  0.172482D+01
      2  -0.929758D+01 -0.123875D+00 -0.732960D+01  0.152244D+02 -0.514304D+01
      3   0.123685D+02 -0.335951D+01  0.934713D+01 -0.122434D+02  0.341822D+01
      4   0.247657D+02 -0.107139D+02  0.191534D+02 -0.206779D+02  0.768530D+01
      5  -0.610421D+01  0.858913D+01 -0.393932D+01  0.590050D+01 -0.451311D+01
      6   0.744944D+01 -0.906411D+01  0.578339D+01 -0.917695D+01  0.834289D+01
               151           152           153           154           155 
      1   0.435868D+01  0.259629D+01 -0.863703D+00 -0.852430D+01 -0.136934D+02
      2  -0.726957D+00 -0.718604D+01  0.971820D+00  0.105045D+02  0.175564D+02
      3  -0.363172D+01  0.458974D+01 -0.108117D+00 -0.198016D+01 -0.386299D+01
      4  -0.122991D+02  0.113157D+02 -0.102194D+02  0.163911D+02  0.856212D+01
      5   0.894448D+01 -0.696029D+01  0.733360D+01 -0.111113D+01 -0.146219D+01
      6  -0.827819D+01  0.108060D+02 -0.789335D+01 -0.758322D+01 -0.498321D+01
               156           157           158           159           160 
      1   0.468632D+01 -0.929927D+01 -0.110743D+02  0.363470D+01  0.496752D+01
      2  -0.343186D+01  0.121049D+02  0.162619D+02 -0.462529D+01 -0.295726D+01
      3  -0.125446D+01 -0.280561D+01 -0.518759D+01  0.990594D+00 -0.201026D+01
      4  -0.509328D+01  0.914319D+01  0.624368D+01 -0.155913D+01 -0.580274D+01
      5   0.198085D+01 -0.513470D+00 -0.252489D+00 -0.276627D+00  0.275899D+01
      6   0.625608D+01 -0.371035D+01 -0.557402D+01  0.594792D+01  0.489150D+01
               161           162           163           164           165 
      1   0.545611D+01 -0.573727D+01 -0.772229D+00 -0.190991D+01 -0.164599D+01
      2  -0.672987D+01  0.346588D+01  0.132848D+01  0.253645D+00  0.117865D+01
      3   0.127376D+01  0.227139D+01 -0.556254D+00  0.165627D+01  0.467333D+00
      4  -0.742380D+00  0.174475D+01 -0.294599D+01  0.595370D+01  0.245087D+01
      5  -0.686254D+00 -0.179686D+01 -0.237673D+01  0.104936D+01  0.524165D+01
      6   0.756299D+01 -0.350991D+01  0.209217D+01 -0.616273D+00 -0.226910D+01
               166           167           168           169           170 
      1  -0.713589D+00 -0.492963D+01 -0.462650D+01 -0.214922D+01 -0.882730D+01
      2  -0.460155D+00  0.566588D+01  0.528624D+01  0.132075D+01  0.953408D+01
      3   0.117374D+01 -0.736252D+00 -0.659740D+00  0.828465D+00 -0.706777D+00
      4   0.448914D+01 -0.326601D+01 -0.277002D+01  0.488777D+01 -0.661526D+01
      5   0.736983D-01 -0.286380D+01 -0.276881D+01  0.610745D+01 -0.645840D+01
      6  -0.685765D+00  0.674474D+01  0.109030D+02 -0.326071D+01  0.152221D+02
               171 
      1  -0.117512D+02
      2  -0.292781D+00
      3   0.120440D+02
      4  -0.749131D+01
      5  -0.164886D+02
      6   0.298356D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:27:08 2021, MaxMem=  6442450944 cpu:           15776.0 elap:            1973.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.53101 -19.47689 -14.61657 -10.58067 -10.48311
 Alpha  occ. eigenvalues --  -10.44853 -10.42890 -10.42163  -1.26231  -1.16236
 Alpha  occ. eigenvalues --   -1.04765  -0.94307  -0.84549  -0.82142  -0.75328
 Alpha  occ. eigenvalues --   -0.71121  -0.63122  -0.62371  -0.60964  -0.60328
 Alpha  occ. eigenvalues --   -0.57970  -0.54075  -0.53889  -0.50785  -0.50155
 Alpha  occ. eigenvalues --   -0.49126  -0.45378  -0.45096  -0.44243  -0.43321
 Alpha  occ. eigenvalues --   -0.42064  -0.35725
 Alpha virt. eigenvalues --   -0.01342  -0.00229  -0.00145   0.00326   0.01636
 Alpha virt. eigenvalues --    0.02240   0.02304   0.02611   0.03432   0.04625
 Alpha virt. eigenvalues --    0.05251   0.05808   0.07328   0.08155   0.08524
 Alpha virt. eigenvalues --    0.09311   0.09757   0.10582   0.11405   0.11871
 Alpha virt. eigenvalues --    0.11981   0.12622   0.13105   0.13756   0.14377
 Alpha virt. eigenvalues --    0.14521   0.15052   0.15964   0.16636   0.17092
 Alpha virt. eigenvalues --    0.17417   0.18925   0.19353   0.20187   0.20239
 Alpha virt. eigenvalues --    0.22122   0.22981   0.23416   0.24804   0.26089
 Alpha virt. eigenvalues --    0.26276   0.27386   0.28029   0.28502   0.28949
 Alpha virt. eigenvalues --    0.29414   0.29969   0.30617   0.31469   0.31806
 Alpha virt. eigenvalues --    0.32146   0.34114   0.35011   0.35850   0.36699
 Alpha virt. eigenvalues --    0.37683   0.38901   0.39217   0.39941   0.40787
 Alpha virt. eigenvalues --    0.41134   0.41413   0.41953   0.42437   0.42918
 Alpha virt. eigenvalues --    0.43956   0.44543   0.44780   0.45734   0.46308
 Alpha virt. eigenvalues --    0.46734   0.48539   0.49238   0.49974   0.50935
 Alpha virt. eigenvalues --    0.51535   0.52189   0.52624   0.52872   0.53631
 Alpha virt. eigenvalues --    0.55589   0.55848   0.56073   0.56472   0.57473
 Alpha virt. eigenvalues --    0.58147   0.58467   0.59785   0.60164   0.60628
 Alpha virt. eigenvalues --    0.62205   0.63485   0.64279   0.65239   0.65828
 Alpha virt. eigenvalues --    0.66398   0.67543   0.68549   0.68863   0.70505
 Alpha virt. eigenvalues --    0.71333   0.72077   0.73224   0.73771   0.73997
 Alpha virt. eigenvalues --    0.74701   0.76933   0.78142   0.79233   0.79991
 Alpha virt. eigenvalues --    0.80297   0.81364   0.82279   0.83131   0.84378
 Alpha virt. eigenvalues --    0.85289   0.86481   0.87555   0.89226   0.90063
 Alpha virt. eigenvalues --    0.91254   0.91777   0.92097   0.94065   0.94824
 Alpha virt. eigenvalues --    0.99541   0.99914   1.01582   1.03051   1.04113
 Alpha virt. eigenvalues --    1.05067   1.06852   1.07689   1.09581   1.10718
 Alpha virt. eigenvalues --    1.11528   1.13739   1.15045   1.17933   1.18957
 Alpha virt. eigenvalues --    1.19972   1.20637   1.21360   1.23023   1.24478
 Alpha virt. eigenvalues --    1.27522   1.29270   1.30891   1.31876   1.34042
 Alpha virt. eigenvalues --    1.36727   1.39115   1.40885   1.43192   1.43647
 Alpha virt. eigenvalues --    1.48655   1.50244   1.53412   1.54780   1.57759
 Alpha virt. eigenvalues --    1.59915   1.62161   1.63695   1.64778   1.68115
 Alpha virt. eigenvalues --    1.69403   1.70242   1.72891   1.74156   1.75858
 Alpha virt. eigenvalues --    1.76428   1.77918   1.78316   1.81847   1.83044
 Alpha virt. eigenvalues --    1.85064   1.87009   1.88829   1.89785   1.90984
 Alpha virt. eigenvalues --    1.91376   1.95023   1.96625   1.97609   1.98262
 Alpha virt. eigenvalues --    1.99285   2.00699   2.02307   2.05791   2.05971
 Alpha virt. eigenvalues --    2.08759   2.09538   2.11738   2.12787   2.13752
 Alpha virt. eigenvalues --    2.15849   2.17686   2.19523   2.21374   2.22156
 Alpha virt. eigenvalues --    2.24525   2.25157   2.26788   2.28503   2.29497
 Alpha virt. eigenvalues --    2.32423   2.33909   2.34902   2.36549   2.38246
 Alpha virt. eigenvalues --    2.41917   2.44042   2.47026   2.49920   2.51137
 Alpha virt. eigenvalues --    2.54330   2.55312   2.57907   2.59608   2.61315
 Alpha virt. eigenvalues --    2.62764   2.64983   2.67680   2.69047   2.72119
 Alpha virt. eigenvalues --    2.76241   2.77270   2.77758   2.82251   2.83565
 Alpha virt. eigenvalues --    2.89887   2.94694   2.96473   3.03275   3.08654
 Alpha virt. eigenvalues --    3.13401   3.18289   3.24150   3.36507   3.43889
 Alpha virt. eigenvalues --    3.45078   3.46136   3.48892   3.50953   3.52074
 Alpha virt. eigenvalues --    3.57824   3.60731   3.71705   3.81894   3.90944
 Alpha virt. eigenvalues --    4.11160
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.136062  -0.336160  -0.495136  -0.011461   0.033375  -0.144996
     2  C   -0.336160  10.798871  -2.565552   0.174027   0.046481  -0.395503
     3  C   -0.495136  -2.565552  13.164426  -2.996393  -0.257857   0.261443
     4  C   -0.011461   0.174027  -2.996393   8.054120   0.288520  -0.185734
     5  O    0.033375   0.046481  -0.257857   0.288520   7.876127  -0.004380
     6  C   -0.144996  -0.395503   0.261443  -0.185734  -0.004380   5.088621
     7  N    0.089048  -0.115875  -0.481753   0.299131   0.040503  -0.084353
     8  O    0.012813  -0.027262   0.051299   0.557952  -0.037354   0.007510
     9  H    0.119933   0.197197  -1.834887   0.203252   0.017659  -0.035755
    10  H    0.115216  -2.241403   0.671042  -0.030975  -0.016232   0.013182
    11  H   -0.011151  -0.014173   0.160432  -0.207401   0.327988   0.002085
    12  H   -0.001020  -0.030114   0.281189  -0.141711   0.003217   0.016379
    13  H    0.002510   0.098408  -0.237440  -0.020949  -0.006281  -0.011500
    14  H    0.042278   0.136839  -0.013082  -0.014989  -0.001567   0.150679
    15  H   -0.045427  -0.297866   0.140123  -0.034071   0.001771   0.343769
    16  H   -0.053049   0.424255  -0.130111   0.032979  -0.000491   0.072403
    17  H    0.032524   0.080720   0.082270  -0.030157   0.010709   0.061739
    18  H    0.281008   0.220788  -0.040591  -0.052261   0.003096  -0.062432
    19  H    0.276056  -0.035572  -0.274812   0.146497  -0.008689  -0.100278
               7          8          9         10         11         12
     1  C    0.089048   0.012813   0.119933   0.115216  -0.011151  -0.001020
     2  C   -0.115875  -0.027262   0.197197  -2.241403  -0.014173  -0.030114
     3  C   -0.481753   0.051299  -1.834887   0.671042   0.160432   0.281189
     4  C    0.299131   0.557952   0.203252  -0.030975  -0.207401  -0.141711
     5  O    0.040503  -0.037354   0.017659  -0.016232   0.327988   0.003217
     6  C   -0.084353   0.007510  -0.035755   0.013182   0.002085   0.016379
     7  N    6.396182  -0.010747   0.281416   0.018161  -0.012425   0.090558
     8  O   -0.010747   7.715156  -0.016094  -0.003648  -0.020795   0.005279
     9  H    0.281416  -0.016094   2.526670   0.074773   0.005099  -0.100640
    10  H    0.018161  -0.003648   0.074773   3.162488   0.003917   0.015678
    11  H   -0.012425  -0.020795   0.005099   0.003917   0.576165  -0.000355
    12  H    0.090558   0.005279  -0.100640   0.015678  -0.000355   1.049123
    13  H    0.337939  -0.003889   0.076273  -0.033814  -0.005403  -0.158322
    14  H    0.035138   0.001154   0.004702  -0.137902  -0.000593   0.001975
    15  H    0.016044   0.001480  -0.041905   0.119131   0.000052   0.001381
    16  H   -0.081467  -0.002161   0.011413  -0.071329   0.001353   0.003885
    17  H   -0.012916  -0.003900   0.006872  -0.043944   0.000126   0.000254
    18  H    0.012223   0.030141   0.006827  -0.094426  -0.006288  -0.003472
    19  H    0.018597  -0.011727   0.034607   0.121442   0.001322   0.001855
              13         14         15         16         17         18
     1  C    0.002510   0.042278  -0.045427  -0.053049   0.032524   0.281008
     2  C    0.098408   0.136839  -0.297866   0.424255   0.080720   0.220788
     3  C   -0.237440  -0.013082   0.140123  -0.130111   0.082270  -0.040591
     4  C   -0.020949  -0.014989  -0.034071   0.032979  -0.030157  -0.052261
     5  O   -0.006281  -0.001567   0.001771  -0.000491   0.010709   0.003096
     6  C   -0.011500   0.150679   0.343769   0.072403   0.061739  -0.062432
     7  N    0.337939   0.035138   0.016044  -0.081467  -0.012916   0.012223
     8  O   -0.003889   0.001154   0.001480  -0.002161  -0.003900   0.030141
     9  H    0.076273   0.004702  -0.041905   0.011413   0.006872   0.006827
    10  H   -0.033814  -0.137902   0.119131  -0.071329  -0.043944  -0.094426
    11  H   -0.005403  -0.000593   0.000052   0.001353   0.000126  -0.006288
    12  H   -0.158322   0.001975   0.001381   0.003885   0.000254  -0.003472
    13  H    0.958578   0.000278  -0.001552  -0.008708  -0.000942   0.005362
    14  H    0.000278   1.770069  -0.363584  -0.444589  -0.026974   0.019543
    15  H   -0.001552  -0.363584   1.703634  -0.379389  -0.014416   0.002748
    16  H   -0.008708  -0.444589  -0.379389   1.776620   0.022567  -0.016434
    17  H   -0.000942  -0.026974  -0.014416   0.022567   1.805839  -0.434209
    18  H    0.005362   0.019543   0.002748  -0.016434  -0.434209   1.635251
    19  H   -0.002613  -0.024588  -0.014638   0.005535  -0.372100  -0.331526
              19
     1  C    0.276056
     2  C   -0.035572
     3  C   -0.274812
     4  C    0.146497
     5  O   -0.008689
     6  C   -0.100278
     7  N    0.018597
     8  O   -0.011727
     9  H    0.034607
    10  H    0.121442
    11  H    0.001322
    12  H    0.001855
    13  H   -0.002613
    14  H   -0.024588
    15  H   -0.014638
    16  H    0.005535
    17  H   -0.372100
    18  H   -0.331526
    19  H    1.728483
 Mulliken charges:
               1
     1  C    0.957578
     2  C   -0.118104
     3  C    0.515392
     4  C   -0.030375
     5  O   -0.316595
     6  C    1.007121
     7  N    0.164596
     8  O   -0.245207
     9  H   -0.537412
    10  H   -0.641357
    11  H    0.200048
    12  H   -0.035140
    13  H    0.012064
    14  H   -0.134787
    15  H   -0.137282
    16  H   -0.163281
    17  H   -0.164062
    18  H   -0.175347
    19  H   -0.157849
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.460320
     2  C   -0.759461
     3  C   -0.022020
     4  C   -0.030375
     5  O   -0.116548
     6  C    0.571771
     7  N    0.141521
     8  O   -0.245207
 Electronic spatial extent (au):  <R**2>=           1056.6802
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0028    Y=              0.3460    Z=              1.6026  Tot=              1.6395
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.9126   YY=            -50.0143   ZZ=            -50.7313
   XY=             -4.2203   XZ=             -5.0895   YZ=             -2.1161
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3068   YY=              0.2051   ZZ=             -0.5119
   XY=             -4.2203   XZ=             -5.0895   YZ=             -2.1161
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -21.8165  YYY=              3.2144  ZZZ=              2.8625  XYY=            -12.9211
  XXY=             -0.8873  XXZ=             19.0584  XZZ=             -1.5789  YZZ=              3.6986
  YYZ=              3.0338  XYZ=              6.7006
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -757.1276 YYYY=           -412.3742 ZZZZ=           -180.4178 XXXY=              0.7278
 XXXZ=            -46.4799 YYYX=            -19.6640 YYYZ=             -0.5607 ZZZX=            -12.7459
 ZZZY=             -0.3920 XXYY=           -200.2046 XXZZ=           -158.4060 YYZZ=            -92.7178
 XXYZ=            -17.1098 YYXZ=              0.3283 ZZXY=             -1.3608
 N-N= 4.073201849877D+02 E-N=-1.753223181216D+03  KE= 3.994024527442D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:27:09 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.68311807D-02 1.77371470D-01 6.26201715D-01
 Polarizability= 8.22267878D+01 2.49082136D+00 7.41808333D+01
                 3.35194953D-01 1.07135497D+00 6.88385936D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2628   -0.2674        1.4521    1.4450
 2      0.2628    0.2674       -0.6600   -0.6521       -4.2109   -4.2202
 3     -1.4521   -1.4450        7.0883    7.1006        0.6538    0.6521
 4      0.6600    0.6521       -0.0000    0.0000       -1.4577   -1.4450
 5     -2.8774   -2.8804        1.4577    1.4450       -0.2673   -0.2674
 6     -0.6538   -0.6521        0.2673    0.2674        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8023    0.8023        4.3351    4.3351
 2      1.9563    1.9563        0.0000    0.0000        4.3351    4.3351
 3      1.9563    1.9563        0.8023    0.8023        0.0000    0.0000
 4      0.8023    0.8023       -1.9563   -1.9563      -12.6606  -12.6606
 5     -4.3351   -4.3351       21.3017   21.3017        1.9563    1.9563
 6     -8.6411   -8.6411        4.3351    4.3351       -0.8023   -0.8023
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1214    0.0000        1.4728    1.0698       -5.4888   -5.7802
 2     -1.0115   -1.0698        2.9327    2.6085       16.7150   16.8808
 3      5.8337    5.7802      -28.5783  -28.4022       -2.5364   -2.6085
 4     -2.7046   -2.6085       -0.0830    0.0000        5.8239    5.7802
 5     11.7286   11.5214       -6.0849   -5.7802        0.9540    1.0698
 6      2.6708    2.6085       -0.8593   -1.0698        0.0291    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0119    0.0000        9.0240    8.8002        2.4752    2.6666
 2     -8.4228   -8.8002      -15.9697  -16.5940        6.4243    6.3919
 3     -2.6904   -2.6666        7.4548    6.5603       17.8410   16.5940
 4     16.7925   16.5940       -0.1204    0.0000       -2.8991   -2.6666
 5    -13.1402  -12.9522        2.6472    2.6666        8.8188    8.8002
 6    -16.9265  -16.5940       -8.6746   -8.8002        0.3507    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     15.1991   15.3473       10.4844   10.9591        1.5698    1.6694
 2     41.8497   41.6666       19.7376   20.3939        1.0632    1.6694
 3     41.8246   41.6666       10.1487   10.9591        1.5077    1.8672
 4     -9.2876   -9.4348      -25.9255  -26.3193        8.7858    8.4892
 5      0.9492    0.1979       13.8898   13.4771       27.3828   26.3193
 6    -21.5920  -21.9663       -0.6336   -0.1979        9.7259    9.4348
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.6218   -5.0904   -0.0006   -0.0004   -0.0002    0.8754
 Low frequencies ---   50.1305   72.6669  167.4949
 Diagonal vibrational polarizability:
       16.2729913      20.1562444      20.7277964
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     50.1283                72.6656               167.4948
 Red. masses --      8.0815                 2.8232                 3.9152
 Frc consts  --      0.0120                 0.0088                 0.0647
 IR Inten    --      1.0562                 0.1631                 0.0120
 RamAct Fr= 1--      1.1792                 0.1152                 0.3805
  Dep-P Fr= 1--      0.7333                 0.7482                 0.6246
  Dep-U Fr= 1--      0.8461                 0.8560                 0.7689
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0009
 Beta2  Fr= 1--      0.1663                 0.0164                 0.0488
 AlphaG Fr= 1--      0.0006                -0.0001                -0.0017
 Gamma2 Fr= 1--      0.0386                 0.0107                -0.0842
 Delta2 Fr= 1--      0.0581                 0.0222                -0.0104
 Raman1 Fr= 1--       4.717                  0.461                  1.522
 ROA1   Fr= 1--       5.563                  1.742                 -8.418
 CID1   Fr= 1--       1.179                  3.782                 -5.531
 Raman2 Fr= 1--       1.995                  0.197                  0.585
 ROA2   Fr= 1--       0.461                  0.080                 -1.938
 CID2   Fr= 1--       0.231                  0.405                 -3.313
 Raman3 Fr= 1--       3.991                  0.394                  1.170
 ROA3   Fr= 1--       5.563                  1.742                 -8.418
 CID3   Fr= 1--       1.394                  4.418                 -7.193
 RC180  Fr= 1--       0.692                  0.712                  0.538
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.14     0.07  -0.02  -0.21     0.26  -0.07   0.05
     2   6     0.01   0.02   0.06    -0.03  -0.05  -0.01     0.09  -0.06   0.01
     3   6     0.02  -0.09  -0.06    -0.01  -0.05  -0.04     0.01  -0.13   0.06
     4   6    -0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.07  -0.00   0.02
     5   8     0.21  -0.33   0.06     0.02   0.11   0.04    -0.20   0.12  -0.03
     6   6     0.01   0.05   0.10    -0.01   0.06   0.22     0.00   0.09  -0.11
     7   7    -0.04  -0.04  -0.23     0.03  -0.03  -0.13     0.02  -0.13   0.07
     8   8    -0.25   0.40  -0.05    -0.06  -0.04   0.09    -0.09   0.12  -0.04
     9   1     0.04  -0.21  -0.05    -0.02  -0.12  -0.04    -0.01  -0.12   0.06
    10   1    -0.06   0.08   0.04    -0.15  -0.19  -0.00     0.15  -0.05   0.02
    11   1     0.13  -0.16   0.08     0.01   0.14   0.09    -0.28   0.29  -0.11
    12   1    -0.05  -0.14  -0.31     0.02  -0.06  -0.14     0.01  -0.13   0.08
    13   1    -0.05   0.07  -0.25     0.06   0.04  -0.13     0.02  -0.14   0.07
    14   1    -0.01   0.10   0.16    -0.05  -0.03   0.20     0.11   0.13  -0.23
    15   1     0.07   0.01   0.12     0.09   0.27   0.19    -0.11   0.15  -0.14
    16   1    -0.03   0.06   0.05    -0.05   0.03   0.42    -0.08   0.08  -0.07
    17   1     0.03   0.05   0.26     0.00  -0.06  -0.13     0.28   0.03   0.13
    18   1     0.05   0.01   0.08     0.02  -0.11  -0.43     0.28  -0.15  -0.01
    19   1     0.19  -0.06   0.17     0.26   0.12  -0.22     0.37  -0.10   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    213.0124               224.7072               260.2661
 Red. masses --      1.0752                 1.2478                 1.5027
 Frc consts  --      0.0287                 0.0371                 0.0600
 IR Inten    --      0.2332                 0.4621                19.4675
 RamAct Fr= 1--      0.1401                 0.1299                 0.2811
  Dep-P Fr= 1--      0.7396                 0.7346                 0.7132
  Dep-U Fr= 1--      0.8503                 0.8470                 0.8326
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0199                 0.0183                 0.0390
 AlphaG Fr= 1--     -0.0000                 0.0006                -0.0000
 Gamma2 Fr= 1--     -0.0219                 0.0685                 0.1191
 Delta2 Fr= 1--      0.0020                 0.0335                -0.0533
 Raman1 Fr= 1--       0.560                  0.520                  1.124
 ROA1   Fr= 1--      -2.038                  7.650                  9.728
 CID1   Fr= 1--      -3.637                 14.721                  8.652
 Raman2 Fr= 1--       0.238                  0.220                  0.468
 ROA2   Fr= 1--      -0.541                  1.377                  3.285
 CID2   Fr= 1--      -2.270                  6.256                  7.017
 Raman3 Fr= 1--       0.476                  0.440                  0.936
 ROA3   Fr= 1--      -2.038                  7.650                  9.728
 CID3   Fr= 1--      -4.278                 17.381                 10.391
 RC180  Fr= 1--       0.701                  0.694                  0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.04     0.02  -0.01   0.02    -0.00   0.02   0.01
     2   6    -0.01   0.01   0.00    -0.02   0.00  -0.04    -0.03   0.02  -0.01
     3   6    -0.00   0.01   0.01    -0.02   0.02  -0.05    -0.02   0.01  -0.01
     4   6     0.00   0.00   0.00    -0.00   0.01  -0.03    -0.03   0.00   0.02
     5   8    -0.01  -0.03   0.00     0.06   0.03  -0.01    -0.07  -0.06   0.01
     6   6    -0.01  -0.00  -0.03    -0.01  -0.01  -0.01    -0.03   0.04   0.01
     7   7     0.02   0.02  -0.01    -0.01  -0.01   0.07     0.14   0.01  -0.06
     8   8     0.02  -0.01  -0.00    -0.03  -0.02   0.01     0.01  -0.02  -0.00
     9   1    -0.01  -0.00   0.01    -0.02   0.09  -0.06    -0.07  -0.04  -0.02
    10   1     0.01   0.02   0.01    -0.06   0.03  -0.06    -0.04   0.02  -0.01
    11   1     0.00  -0.05  -0.01     0.07   0.01   0.04    -0.04  -0.12  -0.04
    12   1     0.00   0.02   0.01    -0.06   0.04   0.17    -0.28  -0.02   0.39
    13   1     0.07   0.03  -0.00     0.05  -0.11   0.10     0.81   0.02   0.12
    14   1     0.04  -0.35  -0.38    -0.05   0.17   0.20    -0.04   0.10   0.08
    15   1    -0.25   0.41  -0.15     0.14  -0.25   0.07     0.03  -0.03   0.03
    16   1     0.17  -0.07   0.39    -0.09   0.03  -0.24    -0.06   0.05  -0.07
    17   1    -0.19  -0.01   0.30    -0.23   0.00   0.44     0.03   0.04  -0.01
    18   1    -0.14   0.07  -0.22    -0.16   0.04  -0.37     0.02  -0.00   0.05
    19   1     0.28  -0.04   0.07     0.51  -0.09   0.08    -0.03   0.00   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    267.1170               298.7253               350.5555
 Red. masses --      1.9693                 2.1632                 2.5541
 Frc consts  --      0.0828                 0.1137                 0.1849
 IR Inten    --      5.2500                13.3919                 5.9262
 RamAct Fr= 1--      0.3283                 0.3543                 1.1782
  Dep-P Fr= 1--      0.4162                 0.5550                 0.1338
  Dep-U Fr= 1--      0.5877                 0.7138                 0.2360
 Alpha2 Fr= 1--      0.0023                 0.0013                 0.0190
 Beta2  Fr= 1--      0.0322                 0.0422                 0.0463
 AlphaG Fr= 1--      0.0062                -0.0073                 0.0075
 Gamma2 Fr= 1--     -0.0181                 0.3106                -0.1379
 Delta2 Fr= 1--     -0.0452                 0.1282                 0.0567
 Raman1 Fr= 1--       1.313                  1.417                  4.713
 ROA1   Fr= 1--      -3.183                 33.923                -11.426
 CID1   Fr= 1--      -2.424                 23.935                 -2.424
 Raman2 Fr= 1--       0.386                  0.506                  0.556
 ROA2   Fr= 1--      -0.073                  6.429                 -3.764
 CID2   Fr= 1--      -0.188                 12.710                 -6.768
 Raman3 Fr= 1--       0.772                  1.012                  1.112
 ROA3   Fr= 1--      -3.183                 33.923                -11.426
 CID3   Fr= 1--      -4.124                 33.532                -10.272
 RC180  Fr= 1--       0.175                  0.428                 -0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.07     0.00  -0.06   0.03    -0.13  -0.05  -0.02
     2   6    -0.02  -0.00  -0.04    -0.07  -0.05  -0.00     0.00  -0.07   0.08
     3   6    -0.00  -0.02  -0.09    -0.02   0.01  -0.01     0.06  -0.08   0.06
     4   6     0.01  -0.01  -0.08    -0.02   0.03  -0.03     0.10  -0.01   0.02
     5   8     0.13   0.08  -0.05     0.05  -0.03  -0.01     0.07   0.05   0.01
     6   6    -0.02   0.04   0.05    -0.16   0.11  -0.02    -0.12   0.12  -0.04
     7   7    -0.03  -0.06   0.08     0.19  -0.00   0.05    -0.07  -0.07  -0.04
     8   8    -0.08  -0.02  -0.00    -0.01  -0.04  -0.00     0.13   0.07  -0.04
     9   1     0.03   0.07  -0.10     0.00   0.03  -0.01     0.12  -0.14   0.07
    10   1    -0.09   0.04  -0.06    -0.09  -0.04  -0.01     0.04  -0.11   0.09
    11   1     0.13   0.11   0.07     0.08  -0.11   0.04     0.02   0.17   0.02
    12   1    -0.25  -0.04   0.35     0.64   0.22  -0.26    -0.34  -0.24   0.11
    13   1     0.21  -0.25   0.17    -0.24   0.05  -0.08     0.15  -0.06   0.02
    14   1    -0.02  -0.14  -0.09    -0.06   0.24  -0.04     0.06   0.35  -0.11
    15   1    -0.05   0.31  -0.01    -0.16   0.15  -0.03    -0.21   0.10  -0.06
    16   1     0.03  -0.00   0.32    -0.34   0.12  -0.03    -0.36   0.14  -0.13
    17   1     0.17   0.07  -0.11     0.06   0.01   0.02    -0.26  -0.22   0.02
    18   1     0.12  -0.04   0.38     0.04  -0.10   0.10    -0.23   0.06  -0.16
    19   1    -0.29  -0.12   0.07    -0.04  -0.09   0.04    -0.06   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    386.5719               438.6640               532.8875
 Red. masses --      2.7224                 2.8335                 3.6805
 Frc consts  --      0.2397                 0.3212                 0.6158
 IR Inten    --      5.1256                 2.1896                 9.8305
 RamAct Fr= 1--      1.5480                 0.9672                 5.6737
  Dep-P Fr= 1--      0.5642                 0.3563                 0.1086
  Dep-U Fr= 1--      0.7214                 0.5254                 0.1960
 Alpha2 Fr= 1--      0.0054                 0.0083                 0.0973
 Beta2  Fr= 1--      0.1861                 0.0847                 0.1853
 AlphaG Fr= 1--     -0.0049                 0.0049                 0.0128
 Gamma2 Fr= 1--     -0.3318                -0.2509                 0.2990
 Delta2 Fr= 1--      0.1068                 0.0019                 0.0854
 Raman1 Fr= 1--       6.192                  3.869                 22.695
 ROA1   Fr= 1--     -28.436                -24.023                 31.433
 CID1   Fr= 1--      -4.592                 -6.210                  1.385
 Raman2 Fr= 1--       2.233                  1.016                  2.224
 ROA2   Fr= 1--      -8.818                 -6.037                  6.492
 CID2   Fr= 1--      -3.948                 -5.940                  2.920
 Raman3 Fr= 1--       4.467                  2.033                  4.447
 ROA3   Fr= 1--     -28.436                -24.023                 31.433
 CID3   Fr= 1--      -6.366                -11.819                  7.068
 RC180  Fr= 1--       0.443                  0.051                 -0.608
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.07  -0.00     0.01   0.18  -0.04    -0.00  -0.18   0.00
     2   6    -0.13  -0.05   0.06    -0.01   0.08   0.23     0.12  -0.12   0.09
     3   6    -0.05   0.06   0.02     0.04  -0.05   0.06     0.06   0.10   0.12
     4   6     0.02   0.08  -0.00    -0.03  -0.06  -0.08    -0.04   0.03  -0.09
     5   8     0.07   0.02   0.01     0.07   0.02  -0.07     0.01  -0.01  -0.11
     6   6    -0.15  -0.14  -0.01    -0.05  -0.06  -0.03     0.07   0.05  -0.01
     7   7    -0.08   0.10  -0.04     0.07  -0.06   0.02    -0.03   0.22  -0.03
     8   8     0.09   0.03  -0.03    -0.13  -0.06  -0.01    -0.17  -0.08   0.05
     9   1     0.00   0.05   0.03     0.23  -0.11   0.10     0.22   0.13   0.14
    10   1    -0.14  -0.09   0.07     0.01   0.09   0.22     0.23  -0.23   0.12
    11   1     0.12  -0.09   0.07     0.04   0.11   0.04     0.12  -0.25  -0.06
    12   1    -0.25  -0.01   0.05     0.08  -0.01   0.04    -0.25  -0.01   0.01
    13   1     0.08   0.13   0.00     0.13  -0.03   0.03     0.12   0.35   0.00
    14   1    -0.14  -0.19  -0.08     0.03  -0.08  -0.17     0.24   0.24  -0.09
    15   1    -0.29  -0.21  -0.02    -0.33  -0.25  -0.05     0.01   0.11  -0.04
    16   1    -0.03  -0.14  -0.08     0.13  -0.04  -0.22    -0.15   0.06  -0.03
    17   1     0.37   0.18  -0.07     0.00   0.02  -0.19    -0.07  -0.29   0.01
    18   1     0.33  -0.39   0.02    -0.00   0.05  -0.24    -0.06  -0.07  -0.01
    19   1     0.21   0.01  -0.01     0.06   0.53  -0.11    -0.02  -0.18   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    594.8940               634.9587               773.5657
 Red. masses --      1.1944                 3.2124                 4.1443
 Frc consts  --      0.2490                 0.7631                 1.4611
 IR Inten    --     84.2038                47.7331                18.7576
 RamAct Fr= 1--      0.8082                 4.2661                 1.5461
  Dep-P Fr= 1--      0.6254                 0.0418                 0.2804
  Dep-U Fr= 1--      0.7695                 0.0803                 0.4380
 Alpha2 Fr= 1--      0.0018                 0.0859                 0.0168
 Beta2  Fr= 1--      0.1037                 0.0571                 0.1129
 AlphaG Fr= 1--     -0.0168                 0.0116                 0.0121
 Gamma2 Fr= 1--     -0.0070                -0.0710                 0.0459
 Delta2 Fr= 1--      0.0563                -0.0655                -0.3639
 Raman1 Fr= 1--       3.233                 17.064                  6.185
 ROA1   Fr= 1--       1.129                 -8.909                 -7.242
 CID1   Fr= 1--       0.349                 -0.522                 -1.171
 Raman2 Fr= 1--       1.244                  0.685                  1.354
 ROA2   Fr= 1--      -0.619                 -1.180                  4.011
 CID2   Fr= 1--      -0.498                 -1.721                  2.962
 Raman3 Fr= 1--       2.488                  1.371                  2.709
 ROA3   Fr= 1--       1.129                 -8.909                 -7.242
 CID3   Fr= 1--       0.454                 -6.500                 -2.673
 RC180  Fr= 1--       0.539                 -0.839                 -0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.02  -0.00     0.01  -0.06   0.02
     2   6    -0.01  -0.00  -0.02    -0.03   0.00   0.01     0.04  -0.03   0.13
     3   6     0.01   0.03   0.00     0.16   0.02  -0.14    -0.05   0.00  -0.14
     4   6     0.03  -0.06   0.00     0.19   0.07   0.01    -0.18   0.38  -0.06
     5   8     0.02  -0.06  -0.01    -0.11  -0.05  -0.10     0.02  -0.10   0.07
     6   6    -0.02  -0.01   0.00    -0.08  -0.02   0.01     0.11   0.04  -0.00
     7   7     0.01   0.06   0.00    -0.01  -0.02   0.01    -0.02  -0.07  -0.01
     8   8    -0.01  -0.01   0.02    -0.02   0.04   0.23     0.07  -0.09   0.01
     9   1     0.00   0.06   0.00     0.20   0.02  -0.13     0.01  -0.12  -0.12
    10   1    -0.02  -0.02  -0.01    -0.16   0.05  -0.01    -0.05   0.09   0.10
    11   1    -0.42   0.87  -0.19    -0.05  -0.29  -0.67    -0.20   0.36  -0.05
    12   1     0.00   0.05   0.01    -0.13  -0.09   0.06    -0.09   0.00   0.13
    13   1     0.03   0.07   0.01    -0.19  -0.28  -0.00    -0.18  -0.41  -0.01
    14   1    -0.02  -0.00   0.01    -0.02  -0.00  -0.06     0.23   0.08  -0.13
    15   1    -0.01   0.00   0.00    -0.19  -0.04  -0.01    -0.08  -0.02  -0.03
    16   1    -0.03  -0.01   0.00    -0.09  -0.02  -0.03     0.11   0.05  -0.09
    17   1     0.02   0.03   0.02     0.03   0.05  -0.03    -0.02  -0.28  -0.15
    18   1     0.02  -0.03   0.02     0.02  -0.04  -0.01    -0.04  -0.05  -0.11
    19   1     0.02  -0.05   0.01     0.01   0.06  -0.01    -0.04   0.22  -0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    811.6935               847.8006               901.8288
 Red. masses --      2.6940                 1.8070                 2.3520
 Frc consts  --      1.0458                 0.7652                 1.1270
 IR Inten    --     76.6544                55.6570                49.2094
 RamAct Fr= 1--      4.7199                 6.6127                 1.8882
  Dep-P Fr= 1--      0.0227                 0.1109                 0.6710
  Dep-U Fr= 1--      0.0444                 0.1997                 0.8031
 Alpha2 Fr= 1--      0.0995                 0.1127                 0.0026
 Beta2  Fr= 1--      0.0349                 0.2201                 0.2527
 AlphaG Fr= 1--      0.0223                -0.0199                 0.0135
 Gamma2 Fr= 1--      0.2235                 0.3980                -0.5220
 Delta2 Fr= 1--     -0.0498                 0.8623                -0.9766
 Raman1 Fr= 1--      18.879                 26.451                  7.553
 ROA1   Fr= 1--      19.866                 65.804                -81.366
 CID1   Fr= 1--       1.052                  2.488                -10.773
 Raman2 Fr= 1--       0.419                  2.642                  3.033
 ROA2   Fr= 1--       5.763                  2.655                 -4.716
 CID2   Fr= 1--      13.742                  1.005                 -1.555
 Raman3 Fr= 1--       0.839                  5.283                  6.066
 ROA3   Fr= 1--      19.866                 65.804                -81.366
 CID3   Fr= 1--      23.687                 12.456                -13.414
 RC180  Fr= 1--      -0.911                 -0.601                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.01    -0.01  -0.11   0.02    -0.05  -0.12   0.00
     2   6     0.01   0.00   0.04    -0.01   0.03   0.09    -0.12   0.08   0.03
     3   6     0.12   0.02  -0.16    -0.06   0.06  -0.11    -0.11  -0.07   0.06
     4   6    -0.02  -0.15  -0.00     0.06  -0.10   0.03     0.03  -0.04   0.05
     5   8    -0.07   0.02   0.16    -0.02   0.02   0.01     0.03   0.01  -0.10
     6   6    -0.01  -0.01   0.02     0.07   0.03   0.02     0.10   0.11  -0.04
     7   7     0.09   0.15   0.01    -0.08  -0.04   0.00     0.10   0.06   0.01
     8   8    -0.03   0.00  -0.09     0.01   0.04   0.00     0.02   0.03   0.03
     9   1     0.12   0.02  -0.16    -0.10   0.09  -0.12    -0.19  -0.16   0.06
    10   1    -0.16   0.08   0.00    -0.19   0.12   0.04    -0.09   0.16   0.02
    11   1    -0.02  -0.05   0.32     0.01  -0.06  -0.04     0.04  -0.01  -0.09
    12   1    -0.34  -0.16   0.18     0.40   0.50  -0.01    -0.27  -0.28   0.07
    13   1    -0.47  -0.42  -0.04     0.36   0.13   0.08    -0.35  -0.18  -0.06
    14   1     0.14   0.07  -0.12     0.22   0.07  -0.16    -0.09  -0.12   0.04
    15   1    -0.20  -0.03  -0.01    -0.17  -0.05  -0.02     0.16  -0.06  -0.00
    16   1    -0.06   0.01  -0.07     0.11   0.05  -0.12     0.45   0.10  -0.09
    17   1    -0.00  -0.10  -0.06     0.01  -0.21  -0.12     0.05  -0.03  -0.07
    18   1    -0.01  -0.05  -0.05    -0.01  -0.21  -0.11     0.02  -0.40  -0.13
    19   1    -0.01   0.09  -0.02    -0.00   0.12  -0.03     0.06   0.05  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    935.1830               951.9159               978.9412
 Red. masses --      1.4299                 1.6141                 1.5653
 Frc consts  --      0.7368                 0.8617                 0.8838
 IR Inten    --      6.8719                21.3275                15.1303
 RamAct Fr= 1--      2.0483                 4.2050                 2.3171
  Dep-P Fr= 1--      0.5621                 0.6908                 0.6448
  Dep-U Fr= 1--      0.7197                 0.8171                 0.7841
 Alpha2 Fr= 1--      0.0073                 0.0044                 0.0044
 Beta2  Fr= 1--      0.2457                 0.5727                 0.3028
 AlphaG Fr= 1--     -0.0211                -0.0088                -0.0102
 Gamma2 Fr= 1--      1.2342                 0.2834                -0.1834
 Delta2 Fr= 1--      1.0399                -0.2168                -0.0950
 Raman1 Fr= 1--       8.193                 16.820                  9.268
 ROA1   Fr= 1--     151.754                 20.268                -20.652
 CID1   Fr= 1--      18.522                  1.205                 -2.228
 Raman2 Fr= 1--       2.948                  6.872                  3.633
 ROA2   Fr= 1--      21.301                  8.535                 -3.642
 CID2   Fr= 1--       7.225                  1.242                 -1.002
 Raman3 Fr= 1--       5.897                 13.744                  7.267
 ROA3   Fr= 1--     151.754                 20.268                -20.652
 CID3   Fr= 1--      25.736                  1.475                 -2.842
 RC180  Fr= 1--       0.439                  0.634                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.08     0.10   0.01  -0.02    -0.04   0.10  -0.02
     2   6     0.05  -0.06   0.00     0.09  -0.00   0.00    -0.03  -0.09   0.01
     3   6    -0.08  -0.03  -0.03    -0.11  -0.05  -0.03    -0.07  -0.02  -0.01
     4   6     0.01  -0.02   0.03     0.01  -0.02   0.04    -0.00  -0.01   0.03
     5   8     0.01   0.00  -0.04     0.02   0.00  -0.06     0.01   0.00  -0.05
     6   6    -0.02  -0.08  -0.03    -0.06   0.01   0.06     0.11  -0.04   0.04
     7   7     0.01   0.05   0.00     0.02   0.06   0.00     0.02   0.02  -0.00
     8   8     0.01   0.02   0.01     0.02   0.02   0.02     0.01   0.01   0.01
     9   1    -0.22  -0.04  -0.05    -0.28  -0.07  -0.05    -0.20  -0.05  -0.02
    10   1     0.23   0.29  -0.03    -0.08  -0.14   0.00    -0.20  -0.28   0.02
    11   1     0.01  -0.00  -0.04     0.02  -0.00  -0.04     0.02   0.00  -0.01
    12   1    -0.03   0.07   0.06    -0.04   0.07   0.07    -0.05  -0.00   0.04
    13   1    -0.05  -0.04   0.00    -0.10  -0.07  -0.01    -0.09  -0.07  -0.01
    14   1    -0.01   0.12   0.12    -0.05  -0.12  -0.07     0.51   0.28  -0.24
    15   1     0.27   0.24  -0.03    -0.29  -0.22   0.06    -0.23   0.07  -0.04
    16   1    -0.41  -0.10   0.24     0.17   0.02  -0.13    -0.26  -0.00  -0.10
    17   1     0.03  -0.20  -0.19    -0.19  -0.41   0.02     0.06   0.42   0.13
    18   1    -0.03  -0.08  -0.19    -0.11   0.56   0.11     0.08  -0.04   0.11
    19   1     0.02   0.49  -0.02    -0.21  -0.16  -0.01     0.08  -0.11   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1070.9353              1102.7718              1131.3548
 Red. masses --      1.3331                 2.4471                 2.6772
 Frc consts  --      0.9008                 1.7533                 2.0190
 IR Inten    --     12.5682                30.3743                50.2422
 RamAct Fr= 1--      2.8136                 2.0716                 3.9507
  Dep-P Fr= 1--      0.2321                 0.3699                 0.7500
  Dep-U Fr= 1--      0.3768                 0.5400                 0.8571
 Alpha2 Fr= 1--      0.0350                 0.0170                 0.0000
 Beta2  Fr= 1--      0.1767                 0.1864                 0.5644
 AlphaG Fr= 1--     -0.0125                -0.0095                -0.0001
 Gamma2 Fr= 1--     -0.7696                -0.4855                 0.3414
 Delta2 Fr= 1--     -0.4169                -1.0939                 1.2888
 Raman1 Fr= 1--      11.255                  8.286                 15.803
 ROA1   Fr= 1--     -87.223                -81.612                 74.017
 CID1   Fr= 1--      -7.750                 -9.849                  4.684
 Raman2 Fr= 1--       2.120                  2.237                  6.772
 ROA2   Fr= 1--     -15.136                 -2.900                 -2.117
 CID2   Fr= 1--      -7.138                 -1.296                 -0.313
 Raman3 Fr= 1--       4.241                  4.475                 13.545
 ROA3   Fr= 1--     -87.223                -81.612                 74.017
 CID3   Fr= 1--     -20.567                -18.239                  5.465
 RC180  Fr= 1--      -0.246                  0.080                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02  -0.05    -0.03  -0.07  -0.07     0.06   0.06   0.02
     2   6     0.00  -0.01   0.07     0.10   0.13   0.06    -0.08  -0.13   0.08
     3   6    -0.03  -0.08  -0.05    -0.05   0.21   0.03    -0.15   0.17   0.01
     4   6     0.02  -0.00  -0.01    -0.02  -0.04   0.05     0.11  -0.05  -0.09
     5   8    -0.00   0.00   0.02     0.00  -0.01  -0.06    -0.01   0.03   0.11
     6   6    -0.01   0.02  -0.05    -0.06  -0.07   0.03     0.04   0.03  -0.08
     7   7    -0.03   0.08  -0.00     0.03  -0.11  -0.07     0.05  -0.08  -0.04
     8   8     0.00   0.00   0.00     0.00   0.01   0.01    -0.02   0.00  -0.02
     9   1     0.22  -0.44   0.02    -0.09  -0.02   0.04     0.10   0.29   0.04
    10   1     0.26  -0.21   0.13     0.47   0.06   0.12     0.04  -0.40   0.14
    11   1     0.00  -0.03  -0.08     0.01   0.04   0.21    -0.01  -0.07  -0.43
    12   1     0.14   0.49   0.18    -0.05   0.01   0.13    -0.12  -0.21   0.01
    13   1     0.03  -0.25   0.05    -0.18  -0.53  -0.07    -0.13  -0.14  -0.08
    14   1    -0.18  -0.07   0.12     0.03   0.09   0.04    -0.10  -0.02   0.09
    15   1     0.22   0.03  -0.01    -0.07   0.06   0.01     0.33   0.07  -0.03
    16   1     0.06  -0.01   0.09    -0.23  -0.06   0.08     0.13   0.00   0.09
    17   1     0.00   0.21   0.11     0.01   0.12   0.09    -0.08  -0.15   0.04
    18   1     0.04  -0.01   0.10     0.06  -0.14   0.08    -0.03   0.27   0.05
    19   1     0.04  -0.20   0.01     0.07  -0.33  -0.01    -0.10   0.06   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1177.2094              1195.9796              1249.1926
 Red. masses --      2.1025                 1.7403                 1.7444
 Frc consts  --      1.7167                 1.4666                 1.6038
 IR Inten    --    109.3359                 5.1116                 4.9430
 RamAct Fr= 1--      5.6132                 2.4301                 2.5689
  Dep-P Fr= 1--      0.7489                 0.6205                 0.2362
  Dep-U Fr= 1--      0.8564                 0.7658                 0.3822
 Alpha2 Fr= 1--      0.0001                 0.0058                 0.0316
 Beta2  Fr= 1--      0.8012                 0.3102                 0.1636
 AlphaG Fr= 1--     -0.0012                -0.0029                 0.0343
 Gamma2 Fr= 1--      0.7530                 0.4341                 0.5404
 Delta2 Fr= 1--     -0.1888                 0.3192                 0.1274
 Raman1 Fr= 1--      22.453                  9.721                 10.276
 ROA1   Fr= 1--      66.244                 51.885                 55.959
 CID1   Fr= 1--       2.950                  5.338                  5.446
 Raman2 Fr= 1--       9.615                  3.722                  1.964
 ROA2   Fr= 1--      19.582                  7.864                 11.951
 CID2   Fr= 1--       2.037                  2.113                  6.086
 Raman3 Fr= 1--      19.230                  7.444                  3.927
 ROA3   Fr= 1--      66.244                 51.885                 55.959
 CID3   Fr= 1--       3.445                  6.970                 14.248
 RC180  Fr= 1--       0.713                  0.532                 -0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.05    -0.10   0.03   0.06    -0.04   0.01  -0.08
     2   6    -0.07  -0.12   0.02     0.14  -0.11  -0.05     0.07  -0.01   0.16
     3   6     0.10   0.09  -0.03    -0.02   0.03  -0.01    -0.01  -0.05  -0.13
     4   6    -0.07  -0.03   0.10     0.01   0.00  -0.01    -0.02  -0.00   0.03
     5   8    -0.02  -0.03  -0.13     0.00   0.01   0.01    -0.01  -0.01  -0.02
     6   6     0.01   0.05  -0.06    -0.06   0.09   0.06    -0.03   0.01  -0.06
     7   7    -0.02  -0.02  -0.02     0.00  -0.01  -0.01     0.01  -0.00   0.05
     8   8     0.03   0.03   0.04    -0.01  -0.00  -0.01     0.01   0.01   0.01
     9   1     0.10   0.00  -0.03    -0.23   0.12  -0.06    -0.25   0.45  -0.20
    10   1    -0.14  -0.32   0.04     0.30  -0.24  -0.01     0.02   0.11   0.13
    11   1    -0.00   0.12   0.74     0.00  -0.02  -0.08    -0.01   0.02   0.11
    12   1     0.05   0.09   0.01    -0.00   0.02   0.02    -0.07  -0.32  -0.15
    13   1     0.02  -0.16   0.00    -0.02  -0.06  -0.01     0.05   0.43   0.00
    14   1    -0.15  -0.08   0.05    -0.17  -0.23  -0.06    -0.16  -0.02   0.12
    15   1     0.22  -0.02  -0.01    -0.21  -0.29   0.09     0.19   0.01  -0.01
    16   1     0.20   0.03   0.03     0.33   0.09  -0.13     0.04  -0.03   0.14
    17   1    -0.02  -0.09  -0.02     0.15   0.27  -0.09    -0.02   0.22   0.13
    18   1    -0.04   0.12  -0.03     0.03  -0.34  -0.08     0.08  -0.04   0.16
    19   1    -0.06   0.18   0.01     0.20   0.29   0.03     0.08  -0.25  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1311.3301              1339.4710              1356.4495
 Red. masses --      1.3467                 2.3217                 1.4342
 Frc consts  --      1.3644                 2.4543                 1.5547
 IR Inten    --      5.9385                28.3940                 0.2427
 RamAct Fr= 1--      1.0376                 2.8620                 4.4378
  Dep-P Fr= 1--      0.6764                 0.6733                 0.7456
  Dep-U Fr= 1--      0.8070                 0.8048                 0.8543
 Alpha2 Fr= 1--      0.0013                 0.0039                 0.0003
 Beta2  Fr= 1--      0.1396                 0.3839                 0.6319
 AlphaG Fr= 1--     -0.0064                -0.0051                 0.0047
 Gamma2 Fr= 1--     -0.6869                -0.0159                -0.7062
 Delta2 Fr= 1--     -0.3183                -0.3893                 0.1330
 Raman1 Fr= 1--       4.151                 11.448                 17.751
 ROA1   Fr= 1--     -76.132                -13.978                -63.535
 CID1   Fr= 1--     -18.342                 -1.221                 -3.579
 Raman2 Fr= 1--       1.675                  4.607                  7.582
 ROA2   Fr= 1--     -13.940                  2.734                -18.012
 CID2   Fr= 1--      -8.324                  0.593                 -2.376
 Raman3 Fr= 1--       3.349                  9.213                 15.165
 ROA3   Fr= 1--     -76.132                -13.978                -63.535
 CID3   Fr= 1--     -22.730                 -1.517                 -4.190
 RC180  Fr= 1--       0.614                  0.610                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01    -0.02  -0.00  -0.02     0.03   0.01  -0.06
     2   6    -0.02   0.00  -0.04     0.05  -0.02   0.01    -0.09  -0.14   0.02
     3   6    -0.12  -0.04  -0.07    -0.07  -0.04   0.07     0.04   0.03   0.01
     4   6     0.00  -0.01  -0.00     0.18   0.04  -0.23     0.00  -0.00   0.01
     5   8    -0.02  -0.01  -0.02    -0.08  -0.04   0.02     0.00   0.00   0.00
     6   6     0.01   0.00   0.05    -0.00   0.00  -0.01     0.01   0.04   0.04
     7   7     0.02   0.00   0.02     0.01   0.01  -0.02    -0.01   0.00  -0.01
     8   8     0.03   0.02   0.04     0.00   0.01   0.07    -0.01  -0.00  -0.01
     9   1     0.77   0.18   0.06    -0.16   0.02   0.05    -0.17  -0.07  -0.01
    10   1     0.43   0.03   0.01    -0.29   0.25  -0.08     0.45   0.76  -0.06
    11   1    -0.01   0.03   0.22    -0.05   0.12   0.80     0.00  -0.01  -0.03
    12   1    -0.05  -0.13  -0.04     0.00   0.12   0.08     0.02   0.05   0.01
    13   1    -0.00   0.19  -0.01    -0.02  -0.08  -0.01     0.01  -0.06   0.01
    14   1     0.11  -0.00  -0.09    -0.03  -0.02   0.01     0.08  -0.05  -0.12
    15   1    -0.12  -0.03   0.03    -0.00  -0.02  -0.00    -0.04  -0.09   0.05
    16   1     0.00   0.02  -0.10    -0.02  -0.01   0.03     0.12   0.05  -0.09
    17   1     0.00  -0.03  -0.03     0.02   0.07   0.01    -0.06   0.09   0.15
    18   1    -0.01  -0.02  -0.04     0.01   0.02   0.07     0.02   0.16   0.10
    19   1    -0.01  -0.00   0.01     0.08  -0.01  -0.01    -0.07  -0.07  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8691              1401.0068              1404.2635
 Red. masses --      1.3481                 1.2831                 1.2425
 Frc consts  --      1.5035                 1.4839                 1.4435
 IR Inten    --      4.7605                 6.6998                 2.2518
 RamAct Fr= 1--      6.1281                 3.8790                 1.2825
  Dep-P Fr= 1--      0.7386                 0.6686                 0.7287
  Dep-U Fr= 1--      0.8497                 0.8014                 0.8430
 Alpha2 Fr= 1--      0.0012                 0.0056                 0.0005
 Beta2  Fr= 1--      0.8678                 0.5181                 0.1802
 AlphaG Fr= 1--     -0.0047                -0.0106                 0.0030
 Gamma2 Fr= 1--      0.5113                 0.0231                -0.1884
 Delta2 Fr= 1--     -0.3039                 0.4370                -0.0594
 Raman1 Fr= 1--      24.512                 15.516                  5.130
 ROA1   Fr= 1--      39.359                 16.206                -19.985
 CID1   Fr= 1--       1.606                  1.044                 -3.896
 Raman2 Fr= 1--      10.414                  6.217                  2.162
 ROA2   Fr= 1--      14.702                 -2.941                 -4.046
 CID2   Fr= 1--       1.412                 -0.473                 -1.871
 Raman3 Fr= 1--      20.828                 12.434                  4.325
 ROA3   Fr= 1--      39.359                 16.206                -19.985
 CID3   Fr= 1--       1.890                  1.303                 -4.621
 RC180  Fr= 1--       0.699                  0.603                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01   0.03     0.02   0.01   0.00    -0.00  -0.08  -0.01
     2   6    -0.10   0.07  -0.01    -0.05   0.02   0.00    -0.01   0.03  -0.00
     3   6     0.05  -0.01  -0.05     0.03  -0.09   0.04     0.01  -0.05   0.02
     4   6     0.05   0.02  -0.06    -0.01   0.01   0.00    -0.01   0.00   0.00
     5   8    -0.02  -0.01   0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.02  -0.02   0.02     0.08   0.02  -0.01    -0.08  -0.04   0.02
     7   7    -0.00   0.00   0.04    -0.01   0.01  -0.06    -0.00   0.01  -0.03
     8   8    -0.01  -0.00   0.01     0.01   0.00   0.00     0.00   0.00   0.00
     9   1    -0.46  -0.20  -0.12    -0.09   0.71  -0.02    -0.02   0.37  -0.01
    10   1     0.59  -0.42   0.15     0.18  -0.08   0.05     0.05  -0.09   0.02
    11   1    -0.01   0.03   0.18     0.00  -0.01  -0.02     0.00  -0.01  -0.02
    12   1     0.01  -0.15  -0.11     0.04   0.26   0.12     0.02   0.14   0.06
    13   1     0.06   0.16   0.03    -0.03  -0.26  -0.02    -0.02  -0.13  -0.01
    14   1     0.07   0.06   0.01    -0.17  -0.17   0.15     0.26   0.28  -0.16
    15   1    -0.07   0.09  -0.01    -0.27  -0.09  -0.05     0.31   0.21   0.04
    16   1    -0.01   0.01  -0.09    -0.30   0.02   0.06     0.39  -0.03  -0.13
    17   1    -0.01  -0.08  -0.01    -0.04  -0.04   0.04     0.11   0.25   0.13
    18   1    -0.04   0.02  -0.09     0.01  -0.03  -0.04    -0.11   0.27   0.09
    19   1    -0.10   0.04   0.00    -0.09  -0.02  -0.00     0.00   0.33  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2318              1488.7476              1491.3000
 Red. masses --      1.2303                 1.0516                 1.0438
 Frc consts  --      1.4786                 1.3732                 1.3678
 IR Inten    --      8.3493                 1.5447                 3.2968
 RamAct Fr= 1--      0.5922                 1.7270                 7.7892
  Dep-P Fr= 1--      0.6939                 0.7491                 0.7500
  Dep-U Fr= 1--      0.8193                 0.8566                 0.8571
 Alpha2 Fr= 1--      0.0006                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0809                 0.2465                 1.1127
 AlphaG Fr= 1--     -0.0006                -0.0012                 0.0001
 Gamma2 Fr= 1--      0.1525                -0.0495                -0.6598
 Delta2 Fr= 1--      0.1724                -0.0694                 0.5723
 Raman1 Fr= 1--       2.369                  6.908                 31.157
 ROA1   Fr= 1--      20.152                 -6.974                -45.026
 CID1   Fr= 1--       8.508                 -1.010                 -1.445
 Raman2 Fr= 1--       0.970                  2.959                 13.353
 ROA2   Fr= 1--       2.280                 -0.633                -20.413
 CID2   Fr= 1--       2.350                 -0.214                 -1.529
 Raman3 Fr= 1--       1.941                  5.917                 26.706
 ROA3   Fr= 1--      20.152                 -6.974                -45.026
 CID3   Fr= 1--      10.385                 -1.179                 -1.686
 RC180  Fr= 1--       0.639                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.11  -0.02    -0.04   0.01  -0.01     0.01  -0.00   0.03
     2   6     0.01   0.01   0.00    -0.02  -0.02  -0.00     0.01  -0.02  -0.00
     3   6    -0.02   0.03  -0.02     0.01   0.00   0.00    -0.01   0.00  -0.00
     4   6     0.00  -0.01   0.01    -0.01  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.06   0.02  -0.02     0.02  -0.03   0.00     0.00  -0.02  -0.04
     7   7     0.00  -0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   1     0.06  -0.19   0.00     0.01   0.02   0.00     0.02  -0.01   0.00
    10   1    -0.03  -0.02   0.00     0.04   0.03  -0.00     0.02   0.08  -0.02
    11   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.02  -0.09  -0.04     0.01   0.01  -0.00    -0.00   0.00   0.00
    13   1     0.01   0.09   0.01    -0.00  -0.02   0.00    -0.00   0.01  -0.00
    14   1    -0.19  -0.18   0.15    -0.14   0.11   0.32    -0.01   0.43   0.37
    15   1    -0.25  -0.10  -0.05    -0.26   0.37  -0.12    -0.37  -0.03  -0.08
    16   1    -0.28   0.02   0.08     0.16   0.01  -0.23     0.33  -0.08   0.31
    17   1     0.14   0.37   0.21     0.00  -0.21  -0.27     0.19   0.20  -0.09
    18   1    -0.15   0.40   0.18     0.06   0.14   0.37    -0.17   0.09  -0.35
    19   1     0.03   0.49  -0.13     0.53   0.00   0.04    -0.20  -0.17   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1506.2665              1514.3282              1660.1181
 Red. masses --      1.0506                 1.0503                 1.0917
 Frc consts  --      1.4044                 1.4190                 1.7726
 IR Inten    --      4.3139                12.1844                35.1487
 RamAct Fr= 1--      8.8240                 0.3334                 2.5894
  Dep-P Fr= 1--      0.7376                 0.7472                 0.5767
  Dep-U Fr= 1--      0.8490                 0.8553                 0.7315
 Alpha2 Fr= 1--      0.0019                 0.0000                 0.0084
 Beta2  Fr= 1--      1.2485                 0.0475                 0.3157
 AlphaG Fr= 1--     -0.0020                 0.0001                -0.0093
 Gamma2 Fr= 1--     -0.2381                 0.5833                -0.2118
 Delta2 Fr= 1--     -0.1263                 0.2406                 0.0191
 Raman1 Fr= 1--      35.296                  1.334                 10.358
 ROA1   Fr= 1--     -26.898                 63.700                -19.718
 CID1   Fr= 1--      -0.762                 47.767                 -1.904
 Raman2 Fr= 1--      14.983                  0.570                  3.788
 ROA2   Fr= 1--      -4.703                 12.076                 -5.235
 CID2   Fr= 1--      -0.314                 21.174                 -1.382
 Raman3 Fr= 1--      29.965                  1.141                  7.577
 ROA3   Fr= 1--     -26.898                 63.700                -19.718
 CID3   Fr= 1--      -0.898                 55.847                 -2.603
 RC180  Fr= 1--       0.698                  0.711                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.01   0.01  -0.02     0.00  -0.00   0.00
     2   6     0.03  -0.01  -0.01    -0.02   0.02  -0.03    -0.01   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.01  -0.01   0.00     0.03   0.01  -0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.03  -0.07  -0.02
     8   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.04  -0.04   0.01     0.01  -0.01   0.00    -0.03  -0.05  -0.01
    10   1    -0.05  -0.01  -0.03     0.07  -0.06  -0.01     0.02  -0.02  -0.00
    11   1    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1    -0.00  -0.01  -0.00     0.00   0.00  -0.01    -0.19   0.34   0.57
    13   1    -0.00   0.01   0.00     0.01  -0.01   0.00    -0.39   0.57  -0.19
    14   1    -0.11   0.08   0.24     0.17   0.29  -0.04     0.00   0.00  -0.00
    15   1    -0.18   0.29  -0.09    -0.07  -0.43   0.05    -0.00  -0.00  -0.00
    16   1     0.16   0.01  -0.19     0.10  -0.08   0.54     0.00   0.00  -0.00
    17   1    -0.33  -0.04   0.49    -0.22  -0.22   0.10    -0.00  -0.01  -0.00
    18   1     0.22  -0.36   0.07     0.19  -0.10   0.37     0.00   0.00   0.01
    19   1    -0.36   0.25  -0.09     0.20   0.21  -0.04     0.00   0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1808.2396              3012.7248              3027.7790
 Red. masses --      9.5529                 1.0814                 1.0392
 Frc consts  --     18.4034                 5.7831                 5.6132
 IR Inten    --    300.1219                 5.3406                22.5394
 RamAct Fr= 1--     15.2519               170.6655                13.9820
  Dep-P Fr= 1--      0.2204                 0.1957                 0.0894
  Dep-U Fr= 1--      0.3613                 0.3274                 0.1640
 Alpha2 Fr= 1--      0.1961                 2.3439                 0.2512
 Beta2  Fr= 1--      0.9183                 9.3126                 0.3823
 AlphaG Fr= 1--     -0.1760                 0.1365                 0.0416
 Gamma2 Fr= 1--      0.2183                -0.7218                 0.1423
 Delta2 Fr= 1--      0.3992                -2.0318                -0.5749
 Raman1 Fr= 1--      61.008                682.662                 55.928
 ROA1   Fr= 1--      33.735               -134.311                 -4.734
 CID1   Fr= 1--       0.553                 -0.197                 -0.085
 Raman2 Fr= 1--      11.020                111.751                  4.587
 ROA2   Fr= 1--       2.046                 -1.069                  8.015
 CID2   Fr= 1--       0.186                 -0.010                  1.747
 Raman3 Fr= 1--      22.039                223.501                  9.175
 ROA3   Fr= 1--      33.735               -134.311                 -4.734
 CID3   Fr= 1--       1.531                 -0.601                 -0.516
 RC180  Fr= 1--      -0.277                 -0.345                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00   0.01    -0.00   0.02   0.01
     2   6    -0.01   0.01  -0.00     0.01  -0.01  -0.08     0.00  -0.00  -0.01
     3   6    -0.06  -0.03  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
     4   6     0.47   0.29   0.44     0.00   0.00  -0.00     0.00   0.00   0.00
     5   8    -0.04  -0.02  -0.04     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.02     0.04  -0.00  -0.03
     7   7    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     8   8    -0.27  -0.18  -0.30    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.21   0.14   0.05     0.02  -0.01  -0.14     0.01  -0.00  -0.04
    10   1     0.01  -0.02   0.00    -0.12   0.15   0.93    -0.01   0.02   0.10
    11   1    -0.02   0.07   0.47     0.00  -0.00   0.00     0.00   0.00   0.00
    12   1     0.00   0.02   0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    13   1    -0.01  -0.03  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.01   0.01  -0.01     0.01   0.00   0.01    -0.32   0.20  -0.25
    15   1    -0.00  -0.00  -0.00     0.03  -0.04  -0.21    -0.10   0.12   0.63
    16   1    -0.01  -0.00   0.00     0.00   0.02   0.01    -0.00  -0.30  -0.05
    17   1    -0.01  -0.03  -0.02    -0.01   0.01  -0.00     0.19  -0.11   0.12
    18   1     0.01   0.01   0.04     0.02   0.00  -0.00    -0.21  -0.09   0.09
    19   1     0.04   0.01   0.01     0.01  -0.03  -0.14     0.03  -0.06  -0.36
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3033.0319              3070.8018              3084.7338
 Red. masses --      1.0380                 1.0857                 1.0993
 Frc consts  --      5.6262                 6.0321                 6.1630
 IR Inten    --     26.5189                10.7142                14.9337
 RamAct Fr= 1--    247.8351                62.8407                35.5540
  Dep-P Fr= 1--      0.0067                 0.0653                 0.6223
  Dep-U Fr= 1--      0.0133                 0.1227                 0.7672
 Alpha2 Fr= 1--      5.4221                 1.1966                 0.0829
 Beta2  Fr= 1--      0.5489                 1.2849                 4.5460
 AlphaG Fr= 1--     -0.3276                 0.3062                 0.0665
 Gamma2 Fr= 1--     -0.3385                 4.8118                18.6922
 Delta2 Fr= 1--     -0.4382                 4.2071                12.1680
 Raman1 Fr= 1--     991.341                251.363                142.216
 ROA1   Fr= 1--     -46.522                596.562               2183.827
 CID1   Fr= 1--      -0.047                  2.373                 15.356
 Raman2 Fr= 1--       6.587                 15.418                 54.552
 ROA2   Fr= 1--      -4.619                 81.827                351.269
 CID2   Fr= 1--      -0.701                  5.307                  6.439
 Raman3 Fr= 1--      13.175                 30.837                109.104
 ROA3   Fr= 1--     -46.522                596.562               2183.827
 CID3   Fr= 1--      -3.531                 19.346                 20.016
 RC180  Fr= 1--      -0.973                 -0.755                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.02    -0.00  -0.00   0.01     0.00  -0.01   0.04
     2   6     0.00  -0.00  -0.01     0.00  -0.00  -0.01     0.00  -0.00  -0.01
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.08     0.00  -0.00  -0.01
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.02  -0.00  -0.01     0.01  -0.00   0.01    -0.04   0.01  -0.07
     7   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1     0.02  -0.01  -0.08    -0.15   0.06   0.95    -0.01   0.01   0.09
    10   1    -0.02   0.02   0.14    -0.01   0.02   0.12    -0.01   0.01   0.08
    11   1     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00   0.00     0.01   0.00  -0.02     0.00   0.00  -0.00
    14   1    -0.19   0.12  -0.15    -0.10   0.06  -0.07     0.52  -0.32   0.37
    15   1    -0.06   0.07   0.35     0.01  -0.01  -0.05    -0.10   0.11   0.52
    16   1    -0.01  -0.18  -0.03    -0.00  -0.05  -0.00    -0.00   0.14   0.00
    17   1    -0.33   0.20  -0.21    -0.05   0.03  -0.03    -0.19   0.11  -0.11
    18   1     0.39   0.17  -0.16     0.08   0.03  -0.03     0.14   0.06  -0.05
    19   1    -0.04   0.10   0.56     0.00  -0.01  -0.04     0.02  -0.05  -0.28
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3093.8185              3100.0374              3124.8359
 Red. masses --      1.0996                 1.1016                 1.0987
 Frc consts  --      6.2011                 6.2375                 6.3207
 IR Inten    --     49.4785                33.7244                13.5284
 RamAct Fr= 1--     89.5593                75.1377                58.1056
  Dep-P Fr= 1--      0.5496                 0.7068                 0.6223
  Dep-U Fr= 1--      0.7094                 0.8282                 0.7672
 Alpha2 Fr= 1--      0.3431                 0.0563                 0.1355
 Beta2  Fr= 1--     10.5883                10.3718                 7.4296
 AlphaG Fr= 1--      0.2501                -0.0447                -0.0273
 Gamma2 Fr= 1--    -22.6669                 5.5780                -2.2587
 Delta2 Fr= 1--    -15.4057                 4.6057                -1.0796
 Raman1 Fr= 1--     358.237                300.551                232.423
 ROA1   Fr= 1--   -2669.005                682.865               -251.386
 CID1   Fr= 1--      -7.450                  2.272                 -1.082
 Raman2 Fr= 1--     127.059                124.461                 89.155
 ROA2   Fr= 1--    -420.759                 97.026                -45.573
 CID2   Fr= 1--      -3.312                  0.780                 -0.511
 Raman3 Fr= 1--     254.118                248.923                178.310
 ROA3   Fr= 1--   -2669.005                682.865               -251.386
 CID3   Fr= 1--     -10.503                  2.743                 -1.410
 RC180  Fr= 1--       0.419                  0.656                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.08    -0.09   0.01  -0.01     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.01     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.01   0.00  -0.03    -0.00  -0.00  -0.01     0.02  -0.09  -0.01
     7   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.02   0.01   0.13     0.00  -0.00   0.00    -0.00   0.00   0.01
    10   1    -0.02   0.03   0.18    -0.00   0.00   0.01    -0.01   0.01   0.03
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.21  -0.13   0.15     0.05  -0.03   0.04    -0.23   0.13  -0.18
    15   1    -0.04   0.04   0.22    -0.01   0.01   0.04    -0.03   0.02   0.19
    16   1    -0.00   0.05   0.00     0.00   0.03   0.00     0.04   0.91   0.14
    17   1     0.29  -0.17   0.16     0.55  -0.34   0.35    -0.01   0.01  -0.00
    18   1    -0.44  -0.19   0.15     0.57   0.26  -0.23    -0.00  -0.00   0.00
    19   1    -0.04   0.13   0.63    -0.02   0.01   0.04     0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3490.3645              3569.0676              3729.6264
 Red. masses --      1.0484                 1.0938                 1.0642
 Frc consts  --      7.5251                 8.2089                 8.7218
 IR Inten    --      1.3575                 4.3036                66.7126
 RamAct Fr= 1--    110.5537                50.3352               101.6767
  Dep-P Fr= 1--      0.0885                 0.6605                 0.2251
  Dep-U Fr= 1--      0.1625                 0.7955                 0.3675
 Alpha2 Fr= 1--      1.9909                 0.0804                 1.2908
 Beta2  Fr= 1--      2.9950                 6.6739                 6.2272
 AlphaG Fr= 1--      0.4691                 0.0881                 0.1132
 Gamma2 Fr= 1--      1.3723                 0.2240                -0.8609
 Delta2 Fr= 1--      0.5212                -0.0921                 0.4600
 Raman1 Fr= 1--     442.215                201.341                406.707
 ROA1   Fr= 1--     148.423                 18.560                -67.927
 CID1   Fr= 1--       0.336                  0.092                 -0.167
 Raman2 Fr= 1--      35.940                 80.087                 74.727
 ROA2   Fr= 1--      28.767                  6.113                -24.342
 CID2   Fr= 1--       0.800                  0.076                 -0.326
 Raman3 Fr= 1--      71.880                160.174                149.453
 ROA3   Fr= 1--     148.423                 18.560                -67.927
 CID3   Fr= 1--       2.065                  0.116                 -0.455
 RC180  Fr= 1--      -0.675                  0.591                 -0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.06  -0.03   0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.03  -0.02    -0.02   0.02  -0.08     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.90   0.41  -0.10
    12   1    -0.41   0.35  -0.40     0.48  -0.39   0.41     0.00  -0.00   0.00
    13   1    -0.16   0.08   0.72    -0.18   0.08   0.64     0.00  -0.00  -0.00
    14   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   633.433281171.676921443.30431
           X            0.99950  -0.02859  -0.01349
           Y            0.02838   0.99948  -0.01560
           Z            0.01393   0.01521   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13674     0.07392     0.06001
 Rotational constants (GHZ):           2.84914     1.54031     1.25042
 Zero-point vibrational energy     430915.6 (Joules/Mol)
                                  102.99130 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     72.12   104.55   240.99   306.48   323.30
          (Kelvin)            374.46   384.32   429.80   504.37   556.19
                              631.14   766.71   855.92   913.56  1112.99
                             1167.85  1219.80  1297.53  1345.52  1369.59
                             1408.48  1540.84  1586.64  1627.77  1693.74
                             1720.75  1797.31  1886.71  1927.20  1951.63
                             1979.57  2015.74  2020.42  2054.91  2141.98
                             2145.65  2167.18  2178.78  2388.54  2601.65
                             4334.64  4356.30  4363.86  4418.20  4438.24
                             4451.31  4460.26  4495.94  5021.86  5135.09
                             5366.10
 
 Zero-point correction=                           0.164127 (Hartree/Particle)
 Thermal correction to Energy=                    0.173697
 Thermal correction to Enthalpy=                  0.174641
 Thermal correction to Gibbs Free Energy=         0.129663
 Sum of electronic and zero-point Energies=           -402.405664
 Sum of electronic and thermal Energies=              -402.396094
 Sum of electronic and thermal Enthalpies=            -402.395150
 Sum of electronic and thermal Free Energies=         -402.440128
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.997             34.516             94.664
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.462
 Vibrational            107.219             28.555             26.015
 Vibration     1          0.595              1.978              4.812
 Vibration     2          0.599              1.967              4.080
 Vibration     3          0.624              1.882              2.463
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.649              1.803              1.921
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.672              1.733              1.615
 Vibration     8          0.692              1.676              1.424
 Vibration     9          0.727              1.574              1.164
 Vibration    10          0.755              1.499              1.013
 Vibration    11          0.799              1.386              0.831
 Vibration    12          0.888              1.177              0.581
 Vibration    13          0.953              1.043              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.228637D-59        -59.640854       -137.328142
 Total V=0       0.711703D+16         15.852299         36.501266
 Vib (Bot)       0.123935D-72        -72.906805       -167.874123
 Vib (Bot)    1  0.412382D+01          0.615300          1.416780
 Vib (Bot)    2  0.283720D+01          0.452890          1.042818
 Vib (Bot)    3  0.120415D+01          0.080682          0.185776
 Vib (Bot)    4  0.931283D+00         -0.030919         -0.071193
 Vib (Bot)    5  0.878519D+00         -0.056249         -0.129517
 Vib (Bot)    6  0.746183D+00         -0.127155         -0.292785
 Vib (Bot)    7  0.724566D+00         -0.139922         -0.322182
 Vib (Bot)    8  0.637083D+00         -0.195804         -0.450856
 Vib (Bot)    9  0.526116D+00         -0.278919         -0.642234
 Vib (Bot)   10  0.465554D+00         -0.332030         -0.764527
 Vib (Bot)   11  0.394504D+00         -0.403949         -0.930127
 Vib (Bot)   12  0.299309D+00         -0.523880         -1.206278
 Vib (Bot)   13  0.252319D+00         -0.598050         -1.377061
 Vib (V=0)       0.385787D+03          2.586347          5.955285
 Vib (V=0)    1  0.465402D+01          0.667829          1.537732
 Vib (V=0)    2  0.338092D+01          0.529035          1.218148
 Vib (V=0)    3  0.180383D+01          0.256197          0.589915
 Vib (V=0)    4  0.155702D+01          0.192294          0.442772
 Vib (V=0)    5  0.151084D+01          0.179218          0.412665
 Vib (V=0)    6  0.139821D+01          0.145574          0.335196
 Vib (V=0)    7  0.138034D+01          0.139986          0.322329
 Vib (V=0)    8  0.130986D+01          0.117225          0.269921
 Vib (V=0)    9  0.122581D+01          0.088423          0.203601
 Vib (V=0)   10  0.118318D+01          0.073052          0.168209
 Vib (V=0)   11  0.113689D+01          0.055720          0.128299
 Vib (V=0)   12  0.108274D+01          0.034524          0.079495
 Vib (V=0)   13  0.106006D+01          0.025330          0.058324
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.370492D+06          5.568779         12.822587
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3     3  3        33333333                                        1    1 11111111111 111 111                                    
     7     5  4        11000000                                        8    6 55444443333 211 110  9999 887    65 5   43322222 1     
     3     6  9        20987321                                        0    6 10982007531 497 307  7530 417    39 3   38596621 6  75 
     0     9  0        50451383                                        8    0 46198416691 967 131  9252 824    55 3   97197053 7  30 
 
     X     X  X        XXXXXXXX                                        X    X XXXXXXXXXXX XXX XXX  XXXX XXX    XX X   XXXXXXXX    XX 
     X                  XX  XX                                         X    X          X    X XX      X XX     XX                    
     X                   X                                             X                    X X       X XX     XX                    
     X                                                                 X                    X           XX      X                    
                                                                       X                    X            X      X                    
                                                                       X                    X                   X                    
                                                                       X                    X                                        
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002364    0.000008364   -0.000003506
      2        6          -0.000002945   -0.000009678    0.000003667
      3        6           0.000002924   -0.000013778   -0.000005041
      4        6          -0.000004547    0.000003603   -0.000012835
      5        8          -0.000002952   -0.000003254    0.000009153
      6        6           0.000002797    0.000010544   -0.000002968
      7        7          -0.000006620    0.000000976   -0.000001468
      8        8           0.000005026    0.000003555    0.000000832
      9        1           0.000002883   -0.000002730   -0.000000041
     10        1          -0.000004172    0.000000848    0.000000958
     11        1           0.000002099    0.000001112   -0.000002274
     12        1          -0.000002178   -0.000001433    0.000004236
     13        1           0.000003747   -0.000000240    0.000004683
     14        1           0.000001026    0.000000602   -0.000000495
     15        1          -0.000000735    0.000001359    0.000001001
     16        1          -0.000000232   -0.000001171    0.000003035
     17        1           0.000000806    0.000000600   -0.000001403
     18        1          -0.000001030    0.000001914    0.000001580
     19        1           0.000001739   -0.000001191    0.000000886
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013778 RMS     0.000004352
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884040D+02  0.289009D+01  0.534894D+00
      2   0.289009D+01  0.799636D+02  0.130423D+01
      3   0.534894D+00  0.130423D+01  0.742029D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.119588D+00 -0.456368D+01  0.237634D+01
      2   0.189706D+01 -0.331556D+01  0.227318D+02
      3   0.642387D+01 -0.393258D+02  0.316055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.807177D+02 -0.192327D+02  0.571545D+01
      2  -0.326852D+02  0.180715D+02  0.384820D+01
      3  -0.480325D+02  0.116121D+01 -0.956365D+01
      4  -0.241212D+02  0.706517D+02 -0.845302D+01
      5  -0.428104D+00 -0.928432D+01  0.289851D+02
      6  -0.337709D+01 -0.209745D+01 -0.131621D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.106464D+01  0.516145D+01 -0.346268D+01  0.436854D+01 -0.670169D+00
      2   0.516145D+01 -0.104709D+01  0.471725D+00 -0.670169D+00 -0.330673D+01
      3  -0.346268D+01  0.471725D+00 -0.107377D+01  0.351447D+00 -0.128064D+01
                 6             7             8             9            10 
      1   0.351447D+00 -0.379399D+01  0.473488D+00 -0.122763D+01  0.120502D+00
      2  -0.128064D+01  0.473488D+00 -0.192236D+01  0.304890D+01 -0.454656D+01
      3   0.218851D+01 -0.122763D+01  0.304890D+01  0.547391D+01  0.219800D+01
                11            12            13            14            15 
      1  -0.454656D+01  0.219800D+01 -0.587378D+01  0.951170D+00 -0.215717D+00
      2   0.144067D+01 -0.304838D-01  0.951170D+00  0.481911D+01  0.862918D+00
      3  -0.304838D-01  0.146327D+01 -0.215717D+00  0.862918D+00 -0.164730D+01
                16            17            18            19            20 
      1   0.397968D+01 -0.705225D-01  0.207662D+01 -0.593365D+00  0.457409D+01
      2  -0.705225D-01  0.157132D+01 -0.210767D+01  0.457409D+01  0.496656D-01
      3   0.207662D+01 -0.210767D+01 -0.849709D+01 -0.244491D+01 -0.158557D+00
                21            22            23            24            25 
      1  -0.244491D+01  0.378879D+01 -0.114650D+01 -0.371018D+00 -0.295427D+01
      2  -0.158557D+00 -0.114650D+01 -0.383399D+01 -0.134349D+01  0.828039D-01
      3  -0.948841D+00 -0.371018D+00 -0.134349D+01  0.136838D+01 -0.151208D+01
                26            27            28            29            30 
      1   0.828039D-01 -0.151208D+01 -0.236345D+00 -0.287564D+00  0.350056D+01
      2  -0.202149D+01  0.100725D+01 -0.287564D+00  0.160348D+01  0.135987D+01
      3   0.100725D+01  0.675796D+01  0.350056D+01  0.135987D+01  0.192480D+01
                31            32            33            34            35 
      1   0.473779D+00  0.721189D+00  0.158211D+01  0.427790D+01  0.162750D+01
      2   0.721189D+00  0.146804D+00  0.146928D+01  0.162750D+01  0.225993D+01
      3   0.158211D+01  0.146928D+01  0.835533D+00  0.219597D+01  0.621814D+00
                36            37            38            39            40 
      1   0.219597D+01  0.531869D+01  0.179227D+01 -0.748927D+00  0.261379D+01
      2   0.621814D+00  0.179227D+01  0.678764D+00 -0.921879D+00  0.436143D+00
      3   0.255432D+00 -0.748927D+00 -0.921879D+00  0.110246D+01 -0.118802D+01
                41            42            43            44            45 
      1   0.436143D+00 -0.118802D+01  0.529926D+00 -0.407388D+00 -0.930330D+00
      2   0.106298D+01  0.100356D+01 -0.407388D+00  0.158649D+01  0.188666D+00
      3   0.100356D+01  0.835811D+00 -0.930330D+00  0.188666D+00  0.491285D+01
                46            47            48            49            50 
      1   0.318063D+00  0.397451D+01 -0.286156D+01  0.472393D+01 -0.137518D+01
      2   0.397451D+01 -0.411140D+00  0.484625D+00 -0.137518D+01 -0.578477D+01
      3  -0.286156D+01  0.484625D+00 -0.233264D+01  0.655406D+00 -0.148811D+01
                51            52            53            54            55 
      1   0.655406D+00 -0.436056D+01  0.310982D+00 -0.341766D+01  0.262518D+01
      2  -0.148811D+01  0.310982D+00 -0.154888D+01  0.167674D+01 -0.266330D+01
      3   0.193553D+01 -0.341766D+01  0.167674D+01  0.572794D+01  0.131568D+01
                56            57            58            59            60 
      1  -0.266330D+01  0.131568D+01 -0.113161D+01  0.256662D+01 -0.407603D+00
      2   0.219001D+01 -0.653789D+00  0.256662D+01  0.479896D+01  0.120339D+01
      3  -0.653789D+00  0.255517D+01 -0.407603D+00  0.120339D+01 -0.103544D+01
                61            62            63            64            65 
      1   0.186625D+01 -0.804356D+00  0.295864D+01 -0.695845D+01 -0.247076D+01
      2  -0.804356D+00  0.129487D+01 -0.809880D+00 -0.247076D+01 -0.246134D+01
      3   0.295864D+01 -0.809880D+00 -0.336048D+01 -0.421688D+01 -0.109383D+01
                66            67            68            69            70 
      1  -0.421688D+01 -0.281797D+01 -0.218775D+01 -0.116635D+01 -0.509447D+01
      2  -0.109383D+01 -0.218775D+01 -0.298486D+01 -0.275550D+01 -0.153069D+01
      3  -0.314815D+01 -0.116635D+01 -0.275550D+01 -0.174296D+01 -0.386768D+01
                71            72            73            74            75 
      1  -0.153069D+01 -0.386768D+01  0.530543D+00 -0.581859D+00 -0.914215D+00
      2  -0.334440D+01 -0.201240D+01 -0.581859D+00  0.395470D+00  0.294423D-01
      3  -0.201240D+01 -0.681897D+01 -0.914215D+00  0.294423D-01  0.952064D+00
                76            77            78            79            80 
      1  -0.691844D+00  0.215082D+00  0.418096D-01 -0.137554D+01  0.145302D+00
      2   0.215082D+00  0.384981D+00 -0.102176D+01  0.145302D+00 -0.140526D+01
      3   0.418096D-01 -0.102176D+01 -0.384676D+00  0.492521D+00  0.248136D-01
                81            82            83            84            85 
      1   0.492521D+00 -0.700292D+00  0.887034D+00  0.985728D+00  0.992651D+00
      2   0.248136D-01  0.887034D+00 -0.373951D+00 -0.566191D-01 -0.232300D+00
      3  -0.735085D+01  0.985728D+00 -0.566191D-01 -0.491461D+00 -0.393836D-01
                86            87            88            89            90 
      1  -0.232300D+00 -0.393836D-01  0.138918D+01 -0.934207D-01 -0.449799D+00
      2  -0.164935D+00  0.116043D+01 -0.934207D-01  0.166962D+01  0.932667D+00
      3   0.116043D+01  0.970848D+00 -0.449799D+00  0.932667D+00  0.848216D+01
                91            92            93            94            95 
      1  -0.725165D+01 -0.179729D+01  0.282921D+01 -0.254164D+01 -0.146880D+01
      2  -0.179729D+01 -0.138027D+01  0.719989D+00 -0.146880D+01 -0.986230D+00
      3   0.282921D+01  0.719989D+00 -0.232053D+01  0.109186D+01  0.826896D+00
                96            97            98            99           100 
      1   0.109186D+01  0.987425D+00  0.223649D+00 -0.103050D+01 -0.233146D+01
      2   0.826896D+00  0.223649D+00  0.414526D+00 -0.336067D+00  0.279686D+01
      3  -0.101214D+01 -0.103050D+01 -0.336067D+00  0.140423D+01 -0.121061D+01
               101           102           103           104           105 
      1   0.279686D+01 -0.121061D+01  0.239735D+01 -0.240435D+01  0.946135D+00
      2  -0.342467D+01  0.122359D+01 -0.240435D+01  0.446436D+01 -0.130994D+01
      3   0.122359D+01 -0.127777D+01  0.946135D+00 -0.130994D+01  0.120292D+01
               106           107           108           109           110 
      1  -0.208381D+01  0.161401D+01 -0.142760D+01 -0.278258D+00  0.840323D+00
      2   0.161401D+01 -0.289033D+01  0.173963D+01  0.840323D+00 -0.577852D+00
      3  -0.142760D+01  0.173963D+01 -0.175704D+01  0.412049D+00 -0.568465D+00
               111           112           113           114           115 
      1   0.412049D+00  0.687307D+00 -0.278466D+00 -0.477828D+00  0.136653D+01
      2  -0.568465D+00 -0.278466D+00  0.122823D+01  0.791865D+00 -0.656999D+00
      3  -0.100903D+01 -0.477828D+00  0.791865D+00  0.958218D+00 -0.128306D+01
               116           117           118           119           120 
      1  -0.656999D+00 -0.128306D+01  0.744320D+01 -0.180225D+01  0.256423D+01
      2   0.245625D+01  0.194866D+01 -0.180225D+01  0.131826D+01 -0.583552D+00
      3   0.194866D+01  0.526425D+01  0.256423D+01 -0.583552D+00  0.193747D+01
               121           122           123           124           125 
      1  -0.354923D+01  0.175737D+01 -0.860973D+00  0.416966D+01 -0.672130D+00
      2   0.175737D+01 -0.885271D+00  0.944235D+00 -0.672130D+00  0.116032D+01
      3  -0.860973D+00  0.944235D+00 -0.111062D+01  0.256219D+01 -0.851267D+00
               126           127           128           129           130 
      1   0.256219D+01  0.145655D+01 -0.411511D+00 -0.110590D+01 -0.109153D+01
      2  -0.851267D+00 -0.411511D+00  0.281960D+00  0.350407D-01  0.600396D+00
      3   0.171141D+01 -0.110590D+01  0.350407D-01  0.124005D+01  0.281557D+00
               131           132           133           134           135 
      1   0.600396D+00  0.281557D+00 -0.263149D+01 -0.729446D-01  0.278851D+01
      2   0.145083D+00 -0.869224D+00 -0.729446D-01 -0.127788D+01 -0.399937D+00
      3  -0.869224D+00 -0.102683D+01  0.278851D+01 -0.399937D+00 -0.731510D+01
               136           137           138           139           140 
      1   0.296637D+00  0.113460D+01  0.421395D+00  0.239994D+01  0.188316D+01
      2   0.113460D+01  0.103491D+01  0.641422D-01  0.188316D+01  0.806584D+01
      3   0.421395D+00  0.641422D-01  0.347026D+00  0.458219D-01  0.696033D+00
               141           142           143           144           145 
      1   0.458219D-01  0.836611D+00  0.175053D+00  0.738981D+00  0.460978D+01
      2   0.696033D+00  0.175053D+00  0.913028D+00  0.869683D+00 -0.331870D+01
      3   0.988039D+00  0.738981D+00  0.869683D+00 -0.106403D+00  0.191285D+01
               146           147           148           149           150 
      1  -0.331870D+01  0.191285D+01 -0.239079D+01  0.244033D+01 -0.844420D+00
      2   0.357173D+01 -0.115253D+01  0.244033D+01 -0.354727D+01  0.141242D+01
      3  -0.115253D+01  0.163944D+01 -0.844420D+00  0.141242D+01 -0.119214D+01
               151           152           153           154           155 
      1   0.227926D+01 -0.129030D+01  0.159399D+01 -0.567030D+01 -0.230594D+01
      2  -0.129030D+01  0.233258D+01 -0.177317D+01 -0.230594D+01 -0.326372D+01
      3   0.159399D+01 -0.177317D+01  0.139781D+01  0.143146D+01  0.702385D+00
               156           157           158           159           160 
      1   0.143146D+01 -0.171117D+01 -0.205069D+01  0.529719D+00  0.175246D+01
      2   0.702385D+00 -0.205069D+01 -0.247557D+01  0.894783D+00  0.661375D+00
      3  -0.109930D+01  0.529719D+00  0.894783D+00 -0.875669D+00 -0.943046D+00
               161           162           163           164           165 
      1   0.661375D+00 -0.943046D+00  0.236342D+00 -0.975399D+00 -0.605462D+00
      2   0.150102D+01 -0.122254D+01 -0.975399D+00  0.375112D+00  0.128904D+00
      3  -0.122254D+01  0.582477D+00 -0.605462D+00  0.128904D+00  0.539722D+00
               166           167           168           169           170 
      1  -0.646511D+00  0.242743D+00  0.454390D-01 -0.114076D+01  0.284589D+00
      2   0.242743D+00 -0.114671D+01 -0.119714D+01  0.284589D+00 -0.274937D+01
      3   0.454390D-01 -0.119714D+01 -0.125600D+01  0.681985D+00 -0.254590D+01
               171 
      1   0.681985D+00
      2  -0.254590D+01
      3  -0.676450D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.723681D+01  0.906231D+00 -0.192979D+01  0.426706D+00 -0.537579D+01
      2  -0.413581D+01  0.108595D+01  0.722035D+00  0.483688D+00 -0.117514D+01
      3  -0.955031D+01 -0.147127D+02  0.708256D+01 -0.783381D+01  0.558411D+01
                 6             7             8             9            10 
      1   0.302384D+01 -0.274330D+01  0.102446D+02  0.115897D+02 -0.287475D+00
      2   0.255782D+01 -0.337388D+01  0.366690D+01  0.654262D+01  0.344912D+01
      3   0.872693D+00  0.773625D+01  0.792450D+00 -0.149893D+01  0.763864D+01
                11            12            13            14            15 
      1  -0.710037D-01  0.378352D+00 -0.105029D+01  0.253692D+01 -0.308616D+01
      2  -0.410128D-01  0.500657D+01 -0.800787D+00  0.850948D+00 -0.233557D+01
      3  -0.351273D+01  0.138513D+00  0.283445D+01 -0.649858D+01 -0.139886D+01
                16            17            18            19            20 
      1   0.728982D+00  0.366919D+01 -0.279316D+01 -0.131379D+01 -0.176770D+01
      2  -0.201862D+01 -0.278879D+01 -0.112133D+02  0.348508D+01 -0.716994D-01
      3   0.178562D+01 -0.232337D+01  0.261765D+01 -0.146472D+01 -0.337979D+01
                21            22            23            24            25 
      1  -0.219714D+00 -0.165943D+01  0.262033D+01  0.124670D+00  0.800977D+00
      2   0.268130D+00  0.210563D+01 -0.354970D+00  0.221691D+00 -0.657191D+01
      3  -0.380838D+00  0.115411D+01 -0.470797D+01  0.214475D+01 -0.337997D+01
                26            27            28            29            30 
      1   0.508441D+01 -0.319504D+01 -0.217028D+01 -0.307742D+01  0.345293D+01
      2   0.314584D+00 -0.993851D+00 -0.422266D+01 -0.393940D+00  0.104320D+00
      3   0.205129D+01 -0.114354D+01 -0.891738D+01  0.506120D+01  0.967073D+00
                31            32            33            34            35 
      1   0.244640D+01 -0.102885D+01 -0.935661D+01  0.158461D+01 -0.515000D+01
      2   0.298632D+01 -0.176133D+01 -0.581784D+01 -0.135646D+01 -0.321503D+01
      3   0.193706D+02  0.121860D+02 -0.100236D+01 -0.626212D+00 -0.224806D+01
                36            37            38            39            40 
      1   0.345622D+01  0.205513D+01 -0.301837D+00 -0.281657D+00  0.277138D+00
      2  -0.229375D+01 -0.405181D+01 -0.990916D-01  0.802141D+00 -0.924817D+00
      3   0.943017D+00  0.358719D+01 -0.601481D+00 -0.159076D+01  0.524239D+00
                41            42            43            44            45 
      1   0.748806D+00 -0.392750D+00  0.558095D-01  0.532506D+01  0.620547D+00
      2  -0.345105D+01 -0.557537D+00 -0.619398D+01 -0.153654D+01 -0.883094D+01
      3   0.510264D+00  0.335249D+01  0.299615D+00  0.259915D+01  0.816395D+00
                46            47            48            49            50 
      1   0.123375D+01  0.492391D+00  0.771915D+00  0.134561D+01  0.203036D+01
      2  -0.994839D+01  0.139230D+01 -0.577695D+01  0.242780D+01 -0.449629D+01
      3  -0.104282D+02  0.138546D+01 -0.243674D+01  0.105813D+02  0.184664D+02
                51            52            53            54            55 
      1  -0.260553D+01  0.152306D+01  0.132896D+01 -0.287187D+01 -0.179898D+01
      2   0.513143D+01 -0.141162D+02  0.426354D+01  0.159292D+02  0.104537D+01
      3   0.398891D+01 -0.368028D+01  0.453592D+01 -0.656088D+01  0.689410D+01
                56            57            58            59            60 
      1   0.298789D+01 -0.733847D+01  0.231567D+01 -0.432432D+01 -0.251783D+01
      2   0.172830D+01  0.432156D+01 -0.315277D-01  0.387792D+00  0.123473D+01
      3  -0.122415D+02  0.185059D+01  0.201695D+01  0.597653D+01 -0.255056D+01
                61            62            63            64            65 
      1  -0.756900D+01  0.767320D+01  0.835885D+01  0.214947D+01  0.585369D+01
      2  -0.174600D+01  0.448556D+00 -0.979902D+00  0.312306D+00  0.113076D+00
      3   0.374903D+01 -0.209636D+01  0.725375D+01  0.248795D+01 -0.714632D+01
                66            67            68            69            70 
      1  -0.265494D+01 -0.617075D+00  0.232707D+01 -0.114187D+01  0.334817D+00
      2   0.853000D+01 -0.346513D+01  0.402711D+01  0.503934D+01 -0.176751D+01
      3  -0.722690D+00 -0.337888D+01 -0.818656D+01 -0.245030D+01 -0.401016D-01
                71            72            73            74            75 
      1   0.779238D+01 -0.195813D+01  0.103414D+01 -0.351065D+00 -0.345178D+00
      2   0.333421D+01  0.112429D+02  0.572306D+00 -0.543563D+00  0.752568D+00
      3  -0.159892D+01 -0.229962D+01  0.576890D+00 -0.786415D+00 -0.579135D+00
                76            77            78            79            80 
      1   0.668918D-03  0.435151D+00 -0.235793D+00 -0.585788D+00  0.350588D+01
      2  -0.767117D+00  0.274380D+00 -0.774278D-01 -0.379370D+01  0.259753D+00
      3   0.112109D+01  0.310000D-01 -0.112342D+00 -0.448107D+00  0.152619D+00
                81            82            83            84            85 
      1   0.366575D+01  0.100886D+01 -0.635896D+00 -0.187579D+00 -0.183822D+00
      2   0.890585D+00  0.257573D+01 -0.619175D+00 -0.499052D+00 -0.110944D+01
      3  -0.645361D-01 -0.902240D+00 -0.812302D+00 -0.300532D+00  0.130990D+01
                86            87            88            89            90 
      1   0.633942D+00 -0.407196D+00 -0.601949D+00  0.413286D+01  0.242471D+01
      2   0.186417D+01  0.121829D+01 -0.475976D+01  0.153281D+01  0.107051D+02
      3   0.173486D+00 -0.125439D+01 -0.146010D+00 -0.159078D+01 -0.687986D+00
                91            92            93            94            95 
      1  -0.143066D+01 -0.177099D+01 -0.823490D-01 -0.128573D+01 -0.139177D+01
      2   0.277810D+01  0.481964D+00  0.290743D+01  0.966354D+00 -0.192396D+00
      3  -0.186477D+01 -0.389563D+01  0.109619D+01 -0.154628D+01 -0.265073D+01
                96            97            98            99           100 
      1  -0.114214D+00  0.614658D+00  0.729002D+00 -0.395575D+00  0.262419D+01
      2   0.133499D+01 -0.439773D+00  0.979125D-01 -0.628766D+00 -0.148893D+01
      3   0.858973D+00  0.560649D+00  0.842535D+00 -0.505175D+00 -0.671467D+01
               101           102           103           104           105 
      1  -0.256188D+01  0.416066D+01 -0.246525D+01  0.214001D+01 -0.347823D+01
      2  -0.120885D+00  0.847300D+00  0.219161D+00  0.358832D-01 -0.709586D+00
      3   0.473149D+01 -0.298057D+01  0.744438D+01 -0.493131D+01  0.261113D+01
               106           107           108           109           110 
      1   0.348455D+01 -0.224754D+01  0.363828D+01 -0.116357D+01  0.109252D+01
      2  -0.119578D+01 -0.255116D+00  0.430084D+00  0.762634D+00  0.484167D-01
      3  -0.589268D+01  0.346819D+01 -0.377850D+01 -0.821652D+00  0.859525D+00
               111           112           113           114           115 
      1   0.343445D+01  0.109727D+01 -0.230244D+01 -0.264789D+01  0.370329D+01
      2  -0.102957D+00  0.166243D+00 -0.577630D-01 -0.131418D+00 -0.260642D+01
      3   0.822056D+00  0.191251D+01 -0.942108D+00 -0.122875D+01  0.366143D+01
               116           117           118           119           120 
      1  -0.293192D+01 -0.135759D+02 -0.646239D+00  0.724119D+00 -0.850587D-02
      2   0.916102D-01  0.509653D+00  0.680496D+01 -0.201341D+01  0.798035D+01
      3  -0.141113D+01 -0.379247D+01  0.722182D+01 -0.695734D+01  0.302458D+01
               121           122           123           124           125 
      1  -0.140913D-01 -0.751550D+00 -0.568559D+00 -0.426537D+00  0.167700D+01
      2  -0.218997D+01  0.265808D+01 -0.431730D+01  0.572252D+01 -0.272325D+01
      3  -0.479346D+01  0.408336D+01 -0.287186D+01  0.314384D+01 -0.467303D+01
               126           127           128           129           130 
      1  -0.389661D-01  0.603134D+00 -0.432011D+00 -0.801128D+00 -0.561891D-01
      2   0.555067D+01 -0.270536D+01  0.351163D-01  0.475056D+01  0.155692D+00
      3   0.347999D+01  0.167032D+01 -0.196694D+01 -0.686730D+00 -0.958957D+00
               131           132           133           134           135 
      1   0.672760D+00 -0.253317D+00 -0.995678D+00  0.338963D+01  0.316423D+01
      2  -0.217844D+01 -0.287475D+01  0.408746D+01 -0.143296D+01 -0.212334D+02
      3  -0.157880D+00  0.204028D+01 -0.514734D+00  0.426789D+01  0.276304D+01
               136           137           138           139           140 
      1  -0.233593D+00 -0.270346D+00 -0.627569D+00 -0.990487D-01 -0.865958D+00
      2   0.133980D+01  0.201059D-01  0.131888D+01 -0.144524D+00  0.225793D+01
      3  -0.337229D+01 -0.224065D+01  0.450319D-01  0.195768D+00 -0.238926D+02
               141           142           143           144           145 
      1  -0.284616D+01 -0.612054D+00  0.479996D+00  0.864755D-01  0.368626D+01
      2   0.347940D+01  0.567080D+00  0.228351D+01 -0.440462D+00  0.117411D+01
      3  -0.213023D+01  0.399575D+00 -0.259837D+01 -0.157820D+01 -0.654344D+01
               146           147           148           149           150 
      1  -0.130632D+01  0.457690D+01 -0.167269D+01  0.219053D+01 -0.372111D+01
      2  -0.113440D+01  0.354331D+01 -0.382784D+00  0.142619D+01 -0.216466D+01
      3   0.204358D-01 -0.273819D+01  0.445674D+01 -0.263063D+00  0.380885D+00
               151           152           153           154           155 
      1   0.312104D+01 -0.171832D+01  0.286283D+01  0.301284D+01  0.459466D+00
      2   0.301221D+00 -0.198385D+01  0.195185D+01  0.311066D+01  0.712466D+00
      3  -0.423820D+01 -0.902913D+00 -0.102147D+01  0.180016D+02  0.558241D+01
               156           157           158           159           160 
      1  -0.340183D+01  0.719024D+00  0.120257D+01 -0.275591D+01 -0.227534D+01
      2   0.446144D+00  0.657971D+00  0.113251D+01  0.263047D-01 -0.267417D+01
      3  -0.409067D+01  0.759774D+01  0.601996D+01 -0.210812D+01 -0.508006D+01
               161           162           163           164           165 
      1  -0.986324D+00  0.106534D+01 -0.112638D+01  0.301569D-01  0.110351D+01
      2  -0.112501D+01  0.375029D+00 -0.594427D+00  0.794330D-01  0.118729D+01
      3  -0.222297D+01  0.320650D+01  0.104903D+01  0.626180D+00  0.826433D+00
               166           167           168           169           170 
      1   0.212362D+00 -0.215774D+01 -0.412902D+01  0.130994D+01 -0.201101D+01
      2  -0.352769D+00 -0.124761D+01 -0.125792D+01 -0.226200D+01 -0.269053D+01
      3   0.218952D+01  0.657407D+00  0.112494D+01  0.271035D+01  0.295588D+01
               171 
      1  -0.154504D+02
      2  -0.778054D+01
      3   0.185097D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104616D+02  0.118520D+02 -0.820509D+01  0.902132D+01 -0.117255D+02
      2  -0.180602D+02 -0.442133D+01  0.337182D+01 -0.304875D+01  0.156110D+02
      3   0.759856D+01 -0.743064D+01  0.483328D+01 -0.597258D+01 -0.388550D+01
      4   0.816594D+01 -0.216606D+02  0.140578D+02 -0.187861D+02 -0.308597D+01
      5  -0.771214D+01  0.646417D+01 -0.529543D+01  0.432231D+01 -0.367822D+01
      6   0.170150D+02 -0.193072D+01  0.447079D+01 -0.178702D+01  0.815695D+01
                 6             7             8             9            10 
      1  -0.838515D+00 -0.901344D+01  0.934715D-01  0.505452D+01 -0.131406D+02
      2   0.554637D+01  0.264452D+01  0.697282D+01 -0.524971D+01  0.969960D+01
      3  -0.470786D+01  0.636893D+01 -0.706629D+01  0.195192D+00  0.344100D+01
      4  -0.421228D+01  0.134613D+02 -0.624563D+01  0.104374D+02 -0.131845D+02
      5   0.571947D+01 -0.639148D+01  0.804477D+01  0.127858D+02  0.624071D+01
      6  -0.962733D+01  0.526181D+01 -0.139679D+02 -0.205218D+02 -0.260440D+01
                11            12            13            14            15 
      1  -0.143366D+02  0.461083D+01 -0.169311D+02  0.111200D+02  0.191860D+01
      2   0.738424D+01 -0.473164D+01  0.987762D+01 -0.130062D+02 -0.267770D-01
      3   0.695239D+01  0.120811D+00  0.705352D+01  0.188613D+01 -0.189182D+01
      4   0.498120D+01 -0.125990D+01  0.534494D+01  0.929411D+01  0.213235D+01
      5  -0.196344D+00  0.304916D+01 -0.248896D+00  0.206819D+01 -0.501359D+01
      6   0.593127D+00 -0.100690D+01  0.934019D+00 -0.221037D+01  0.108840D+00
                16            17            18            19            20 
      1   0.100388D+02  0.259255D+01  0.104776D+02 -0.134293D+02 -0.477657D+01
      2  -0.525275D+01 -0.103732D+00  0.632563D+01  0.137915D+02  0.844774D+01
      3  -0.478609D+01 -0.248882D+01 -0.168033D+02 -0.362179D+00 -0.367117D+01
      4  -0.171275D+01  0.277134D+01 -0.499005D+01  0.194034D+01  0.210186D+01
      5   0.853554D+01 -0.430156D+01 -0.198760D+02  0.639178D+01  0.116029D+01
      6  -0.717809D+00  0.494479D+01  0.521382D+00  0.141449D+01 -0.159559D+00
                21            22            23            24            25 
      1   0.218142D+01  0.579185D+01  0.930490D+01  0.551478D+01 -0.425682D+01
      2  -0.289272D+01 -0.458861D+01 -0.176993D+02 -0.282540D+01 -0.344517D+00
      3   0.711301D+00 -0.120324D+01  0.839442D+01 -0.268938D+01  0.460134D+01
      4   0.250623D+01 -0.912450D+01 -0.158760D+00  0.155181D+01  0.116675D+01
      5  -0.504290D+00  0.325163D+01  0.398147D+01  0.341839D+00  0.287433D+00
      6   0.466104D+00  0.170380D+01 -0.887185D+00 -0.242345D+01 -0.278352D+00
                26            27            28            29            30 
      1   0.418105D+01  0.642439D+01 -0.712447D+01  0.804117D+00 -0.787930D+01
      2  -0.508433D+01  0.866986D+01  0.820222D+01 -0.986361D+00  0.598667D+01
      3   0.903287D+00 -0.150943D+02 -0.107775D+01  0.182244D+00  0.189262D+01
      4  -0.318741D+01  0.243976D+00 -0.486424D+01 -0.499101D+01 -0.642148D+01
      5   0.776314D+00  0.223529D+01 -0.178621D+02 -0.737957D+01 -0.176304D+02
      6   0.179374D+01  0.637786D+01 -0.484032D+01 -0.341515D+01 -0.552903D+01
                31            32            33            34            35 
      1  -0.288968D+01 -0.286472D+01 -0.438290D+01 -0.172547D+02 -0.704657D+01
      2  -0.928230D-01  0.531965D+01  0.505858D+01  0.779297D+01  0.238603D-01
      3   0.298250D+01 -0.245493D+01 -0.675680D+00  0.946177D+01  0.702271D+01
      4   0.349895D+01 -0.941745D+01 -0.278363D+01 -0.111105D+02 -0.514689D+01
      5  -0.106247D+02 -0.592967D+01 -0.999340D+01 -0.189484D+02 -0.341513D+01
      6  -0.154400D+01 -0.514242D+01  0.466155D+00 -0.758738D+00 -0.764867D+01
                36            37            38            39            40 
      1  -0.428530D+01 -0.161803D+02 -0.736772D+01  0.358645D+01 -0.114187D+02
      2   0.693047D+01  0.701659D+01  0.324941D+01 -0.682323D+00  0.700039D+01
      3  -0.264516D+01  0.916370D+01  0.411830D+01 -0.290413D+01  0.441831D+01
      4  -0.352850D+01 -0.111406D+02  0.173784D+00  0.516705D+01 -0.161352D+00
      5  -0.524192D+01  0.966250D+01  0.731013D+01  0.158417D+01  0.877539D+01
      6  -0.268188D+01  0.532980D+01  0.795146D+00 -0.196017D+01  0.184994D+01
                41            42            43            44            45 
      1  -0.586198D+01  0.492906D+01  0.124043D+01  0.116537D+01 -0.111602D+02
      2   0.478859D+01 -0.419100D+01  0.389103D+01  0.197365D+01 -0.111664D+02
      3   0.107340D+01 -0.738053D+00 -0.513146D+01 -0.313902D+01  0.223266D+02
      4  -0.357588D+01 -0.435424D+01  0.416433D+01 -0.351769D+01 -0.326616D+01
      5  -0.309385D+01 -0.405120D+01  0.108741D+02 -0.252026D+01 -0.208311D+02
      6   0.152005D+01  0.589150D+01 -0.244944D+01  0.810897D+01 -0.152166D+01
                46            47            48            49            50 
      1  -0.981922D+00  0.236921D+02 -0.189249D+02  0.273998D+02 -0.388946D+01
      2   0.160516D+01 -0.144752D+02  0.905554D+01 -0.178427D+02 -0.438580D+01
      3  -0.623238D+00 -0.921692D+01  0.986933D+01 -0.955704D+01  0.827526D+01
      4   0.233857D+02 -0.278017D+01  0.247820D+01 -0.720278D+01 -0.267401D+02
      5  -0.209429D+02  0.332882D+01 -0.144924D+02  0.445511D+01 -0.967916D+01
      6  -0.146587D+00 -0.348665D+00  0.110810D+00 -0.157855D+01 -0.253066D+01
                51            52            53            54            55 
      1   0.613407D+01 -0.246431D+02  0.359419D+01 -0.132483D+02  0.169081D+02
      2  -0.337239D+01  0.990476D+01 -0.180651D+01  0.155131D+02 -0.156415D+02
      3  -0.276168D+01  0.147384D+02 -0.178768D+01 -0.226483D+01 -0.126662D+01
      4  -0.765772D+01  0.324545D+01 -0.643982D+01  0.894988D+01  0.773886D+01
      5   0.112624D+02 -0.218603D+02  0.973205D+01  0.301768D+02 -0.256072D+01
      6   0.102493D+01  0.331424D+00 -0.854091D+00  0.166162D+01  0.571203D+01
                56            57            58            59            60 
      1  -0.336061D+01 -0.788327D-01 -0.682530D+01 -0.193660D+02 -0.417906D+01
      2   0.677455D+01 -0.230165D+01  0.126685D+02  0.325724D+02  0.522444D+01
      3  -0.341395D+01  0.238048D+01 -0.584322D+01 -0.132064D+02 -0.104538D+01
      4  -0.628052D+01  0.414558D+01  0.118284D+01  0.124752D+02 -0.402481D+01
      5   0.224330D+01  0.895678D+00 -0.587674D-01 -0.356568D+01  0.186952D+01
      6  -0.455129D+01  0.116132D+02 -0.506290D+01  0.580473D+01  0.142353D+01
                61            62            63            64            65 
      1   0.178625D+01 -0.124029D+01  0.151419D+01  0.380601D+02  0.820970D+01
      2  -0.253078D+01  0.590120D+01 -0.159246D+01 -0.248225D+02 -0.391339D+01
      3   0.744533D+00 -0.466091D+01  0.782765D-01 -0.132375D+02 -0.429631D+01
      4   0.465787D+01 -0.336614D+01  0.107778D+02  0.130925D+02  0.151984D+02
      5   0.215377D+01  0.375994D+01  0.506159D+00  0.281850D+02  0.685991D+01
      6   0.144952D+02 -0.819996D+00 -0.133997D+02  0.525971D+01  0.616613D+01
                66            67            68            69            70 
      1   0.136536D+02  0.480841D+01  0.574499D-01 -0.168109D+00  0.159202D+02
      2  -0.116888D+02 -0.372851D+00  0.597612D+01  0.319064D+00 -0.155753D+02
      3  -0.196482D+01 -0.443556D+01 -0.603357D+01 -0.150956D+00 -0.344856D+00
      4   0.682901D+01  0.168321D+02  0.172360D+02  0.113327D+02  0.813133D+01
      5   0.272903D+02  0.839216D+01  0.128956D+02  0.108672D+02  0.282872D+02
      6   0.503427D+01  0.506901D+01  0.891197D+01  0.113748D+02  0.544213D+01
                71            72            73            74            75 
      1   0.207887D+01  0.206968D+01  0.936510D+00 -0.445327D-01 -0.789553D-02
      2  -0.281765D+01 -0.145337D+02 -0.426712D+01  0.231679D-01  0.141111D+01
      3   0.738776D+00  0.124640D+02  0.333061D+01  0.213648D-01 -0.140321D+01
      4   0.104840D+02  0.793240D+01  0.646866D+00  0.144405D+01 -0.123475D+01
      5   0.973168D+01  0.345056D+02 -0.239780D+01 -0.305702D+00  0.623930D+01
      6   0.118325D+02  0.881797D+01 -0.128593D+01 -0.772854D+00  0.789767D+00
                76            77            78            79            80 
      1   0.174718D+00 -0.394131D+01 -0.429401D+00  0.547855D+00  0.148613D+01
      2   0.170389D+00  0.107734D+01 -0.157762D+01  0.191971D+01 -0.221076D+01
      3  -0.345107D+00  0.286397D+01  0.200702D+01 -0.246756D+01  0.724623D+00
      4   0.190074D+01 -0.225547D+00 -0.631753D+00 -0.646403D+00  0.817846D-02
      5  -0.170906D-01 -0.102741D+01 -0.658697D+00  0.435378D+01  0.317000D+00
      6  -0.584517D+00 -0.374402D+00  0.567458D+01  0.226443D+00  0.402122D+01
                81            82            83            84            85 
      1  -0.155596D+02  0.161692D+01  0.229180D+01  0.269822D+01  0.293161D+01
      2  -0.143544D+02 -0.447937D+01 -0.747157D+00  0.190161D+00 -0.156291D+01
      3   0.299141D+02  0.286245D+01 -0.154464D+01 -0.288838D+01 -0.136870D+01
      4   0.859445D+00  0.210321D+01  0.745018D+00  0.925332D-01  0.127984D+01
      5  -0.302779D+01  0.698291D+00  0.253883D+00  0.507714D+01 -0.122301D-01
      6  -0.727875D+01  0.123539D+00 -0.422951D+00 -0.439591D+00 -0.280759D+00
                86            87            88            89            90 
      1  -0.481921D+01 -0.163389D+01  0.434929D+01 -0.853951D+00 -0.173513D+02
      2   0.149741D+01 -0.113346D+01 -0.140821D+01 -0.247357D+01 -0.154722D+02
      3   0.332180D+01  0.276735D+01 -0.294108D+01  0.332752D+01  0.328235D+02
      4  -0.475020D+00  0.218943D+01  0.488277D+00  0.294714D+01  0.251257D+01
      5   0.242253D+01  0.204138D+01  0.275314D+01  0.197200D+01  0.178933D+02
      6   0.194603D+01  0.687823D+01  0.108598D+00  0.390319D+01  0.188601D+00
                91            92            93            94            95 
      1   0.341996D+02  0.766219D+01 -0.110941D+02  0.920399D+01  0.447956D+01
      2  -0.197655D+02 -0.401191D+01  0.826691D+01 -0.422349D+01 -0.998868D+00
      3  -0.144341D+02 -0.365028D+01  0.282720D+01 -0.498050D+01 -0.348069D+01
      4   0.102028D+02  0.695321D+01 -0.407360D+01  0.982224D+01  0.572084D+01
      5  -0.224320D+02 -0.567218D+01  0.139799D+02 -0.815370D+01 -0.530026D+01
      6  -0.500357D+01 -0.304605D+01  0.279143D+01 -0.398922D+01 -0.281992D+01
                96            97            98            99           100 
      1  -0.343240D+01 -0.149259D+01 -0.275639D-01  0.257380D+01 -0.237304D+01
      2   0.256535D+01  0.354256D+01  0.850641D+00 -0.402437D+01  0.851927D+01
      3   0.867053D+00 -0.204997D+01 -0.823077D+00  0.145057D+01 -0.614623D+01
      4  -0.411793D+01 -0.101270D+01 -0.104560D+01  0.165469D+01 -0.116625D+02
      5   0.556607D+01  0.755291D+01  0.204549D+01 -0.736911D+01  0.353137D+01
      6   0.307870D+01  0.133503D+01  0.148502D+01 -0.169402D+01 -0.711473D+01
               101           102           103           104           105 
      1   0.683072D+01 -0.205745D+01  0.453991D+01 -0.106898D+02  0.329390D+01
      2  -0.141151D+02  0.400380D+01 -0.993342D+01  0.199348D+02 -0.589001D+01
      3   0.728435D+01 -0.194635D+01  0.539351D+01 -0.924494D+01  0.259611D+01
      4   0.159745D+02 -0.624933D+01  0.135572D+02 -0.128510D+02  0.523778D+01
      5  -0.329132D+01  0.391211D+01 -0.152403D+01  0.291848D+01 -0.175423D+01
      6   0.845632D+01 -0.761237D+01  0.646800D+01 -0.882031D+01  0.765913D+01
               106           107           108           109           110 
      1  -0.346029D+01  0.643967D+01 -0.532775D+01 -0.190249D+01  0.167819D+01
      2   0.473813D+01 -0.913722D+01  0.432510D+01  0.245441D+01 -0.216578D+01
      3  -0.127784D+01  0.269754D+01  0.100265D+01 -0.551922D+00  0.487584D+00
      4  -0.855988D+01  0.784530D+01 -0.673778D+01 -0.118257D+01  0.462348D+01
      5   0.381940D+01 -0.315847D+01  0.336912D+01 -0.129868D+01  0.802451D+00
      6  -0.796858D+01  0.110050D+02 -0.920123D+01  0.131989D+01 -0.355128D+01
               111           112           113           114           115 
      1   0.200582D+01  0.590903D+00 -0.402252D+01 -0.222456D+01  0.142462D+01
      2  -0.159826D+01 -0.100796D+01  0.540667D+01  0.312397D+01 -0.129086D+01
      3  -0.407556D+00  0.417059D+00 -0.138415D+01 -0.899409D+00 -0.133761D+00
      4   0.167911D+01  0.413393D+01 -0.172670D+01 -0.255499D+01  0.503114D+01
      5   0.262304D+01  0.383055D+00 -0.131821D+01 -0.108921D+01  0.246734D+01
      6  -0.527083D+01 -0.287987D+01  0.369195D+01  0.681615D+01 -0.621197D+01
               116           117           118           119           120 
      1  -0.716247D+01 -0.899198D+01  0.549896D+02 -0.119102D+02  0.172268D+02
      2   0.802398D+01  0.153091D+01 -0.302295D+02  0.613211D+01 -0.103527D+02
      3  -0.861516D+00  0.746106D+01 -0.247601D+02  0.577804D+01 -0.687413D+01
      4  -0.359881D+01 -0.474905D+01 -0.117115D+02  0.105796D+02 -0.384185D+01
      5  -0.190995D+01 -0.368560D+01  0.202084D+02 -0.462051D+01  0.159608D+02
      6   0.103410D+02  0.234141D+02 -0.271897D+00  0.622247D+00  0.550023D-01
               121           122           123           124           125 
      1  -0.218077D+02  0.841452D+01 -0.502616D+01  0.250619D+02 -0.365403D+01
      2   0.116690D+02 -0.225691D+01  0.311944D+01 -0.154301D+02  0.241839D+01
      3   0.101388D+02 -0.615761D+01  0.190672D+01 -0.963183D+01  0.123564D+01
      4   0.131770D+02 -0.767739D+01  0.606558D+01 -0.475131D+01  0.743506D+01
      5  -0.703769D+01  0.628589D+01 -0.812137D+01  0.200813D+02 -0.594571D+01
      6   0.153332D+01 -0.147390D+01  0.190369D+01 -0.685341D+00  0.225699D+01
               126           127           128           129           130 
      1   0.124644D+02  0.916915D+01 -0.273312D+01 -0.613025D+01 -0.603767D+01
      2  -0.113196D+02 -0.770806D+01  0.179534D+01  0.524331D+01  0.396865D+01
      3  -0.114470D+01 -0.146109D+01  0.937784D+00  0.886932D+00  0.206902D+01
      4  -0.515178D+01 -0.228160D+01  0.281209D+01  0.131890D+00  0.445221D+01
      5   0.136275D+02 -0.781786D+01  0.552118D+00  0.128733D+02  0.222523D+01
      6  -0.129175D+01  0.102409D+00 -0.157963D+00  0.794767D+00 -0.150356D+01
               131           132           133           134           135 
      1   0.466914D+00 -0.525950D-01 -0.124263D+02 -0.943929D+00  0.330162D+01
      2  -0.352023D+00 -0.126172D+01  0.114732D+02 -0.194745D+00 -0.181764D+02
      3  -0.114891D+00  0.131432D+01  0.953067D+00  0.113867D+01  0.148748D+02
      4   0.414325D+00 -0.491589D+01 -0.664634D+00 -0.722889D+01 -0.294906D+01
      5  -0.460339D+01 -0.572026D+01  0.212039D+02 -0.279908D+01 -0.428469D+02
      6   0.142888D+01  0.411554D+01  0.314570D+00  0.453482D+01 -0.198204D+01
               136           137           138           139           140 
      1   0.227192D+01  0.403628D+01  0.260408D+01  0.115514D+02 -0.986916D+00
      2   0.171059D+01  0.590433D+00 -0.126076D+01 -0.314266D+01  0.159810D+02
      3  -0.398251D+01 -0.462671D+01 -0.134332D+01 -0.840871D+01 -0.149941D+02
      4   0.568367D+01  0.108071D+02  0.654043D+00  0.157110D+02  0.413837D+02
      5   0.255095D+01  0.311816D+00  0.282873D+01  0.251356D+00  0.483953D+01
      6   0.351151D+00 -0.126452D+00  0.769837D+00  0.799931D+00  0.210908D+01
               141           142           143           144           145 
      1  -0.102533D+01  0.464434D+01 -0.797084D+00  0.927874D+00  0.136871D+02
      2   0.154224D+01 -0.206748D+01  0.117629D+01 -0.101926D+01  0.120549D+01
      3  -0.516906D+00 -0.257686D+01 -0.379210D+00  0.913902D-01 -0.148926D+02
      4   0.392229D+01  0.132582D+01  0.432777D+01  0.397016D+01 -0.274874D+02
      5   0.629257D+01  0.542339D+01  0.466595D+01 -0.734515D+00  0.957793D+01
      6   0.464405D+01  0.109246D+01  0.543608D+01  0.146313D+01 -0.986953D+01
               146           147           148           149           150 
      1  -0.307097D+01  0.348339D+01 -0.201753D+01 -0.298103D+01  0.172482D+01
      2  -0.929758D+01 -0.123875D+00 -0.732960D+01  0.152244D+02 -0.514304D+01
      3   0.123685D+02 -0.335951D+01  0.934713D+01 -0.122434D+02  0.341822D+01
      4   0.247657D+02 -0.107139D+02  0.191534D+02 -0.206779D+02  0.768530D+01
      5  -0.610421D+01  0.858913D+01 -0.393932D+01  0.590050D+01 -0.451311D+01
      6   0.744944D+01 -0.906411D+01  0.578339D+01 -0.917695D+01  0.834289D+01
               151           152           153           154           155 
      1   0.435868D+01  0.259629D+01 -0.863703D+00 -0.852430D+01 -0.136934D+02
      2  -0.726957D+00 -0.718604D+01  0.971820D+00  0.105045D+02  0.175564D+02
      3  -0.363172D+01  0.458974D+01 -0.108117D+00 -0.198016D+01 -0.386299D+01
      4  -0.122991D+02  0.113157D+02 -0.102194D+02  0.163911D+02  0.856212D+01
      5   0.894448D+01 -0.696029D+01  0.733360D+01 -0.111113D+01 -0.146219D+01
      6  -0.827819D+01  0.108060D+02 -0.789335D+01 -0.758322D+01 -0.498321D+01
               156           157           158           159           160 
      1   0.468632D+01 -0.929927D+01 -0.110743D+02  0.363470D+01  0.496752D+01
      2  -0.343186D+01  0.121049D+02  0.162619D+02 -0.462529D+01 -0.295726D+01
      3  -0.125446D+01 -0.280561D+01 -0.518759D+01  0.990594D+00 -0.201026D+01
      4  -0.509328D+01  0.914319D+01  0.624368D+01 -0.155913D+01 -0.580274D+01
      5   0.198085D+01 -0.513470D+00 -0.252489D+00 -0.276627D+00  0.275899D+01
      6   0.625608D+01 -0.371035D+01 -0.557402D+01  0.594792D+01  0.489150D+01
               161           162           163           164           165 
      1   0.545611D+01 -0.573727D+01 -0.772229D+00 -0.190991D+01 -0.164599D+01
      2  -0.672987D+01  0.346588D+01  0.132848D+01  0.253645D+00  0.117865D+01
      3   0.127376D+01  0.227139D+01 -0.556254D+00  0.165627D+01  0.467333D+00
      4  -0.742380D+00  0.174475D+01 -0.294599D+01  0.595370D+01  0.245087D+01
      5  -0.686253D+00 -0.179686D+01 -0.237673D+01  0.104936D+01  0.524165D+01
      6   0.756299D+01 -0.350991D+01  0.209217D+01 -0.616272D+00 -0.226910D+01
               166           167           168           169           170 
      1  -0.713589D+00 -0.492963D+01 -0.462650D+01 -0.214922D+01 -0.882730D+01
      2  -0.460155D+00  0.566588D+01  0.528624D+01  0.132075D+01  0.953408D+01
      3   0.117374D+01 -0.736252D+00 -0.659740D+00  0.828465D+00 -0.706777D+00
      4   0.448914D+01 -0.326601D+01 -0.277002D+01  0.488777D+01 -0.661526D+01
      5   0.736983D-01 -0.286380D+01 -0.276881D+01  0.610744D+01 -0.645840D+01
      6  -0.685765D+00  0.674474D+01  0.109030D+02 -0.326071D+01  0.152221D+02
               171 
      1  -0.117512D+02
      2  -0.292781D+00
      3   0.120440D+02
      4  -0.749131D+01
      5  -0.164886D+02
      6   0.298356D+02
 Leave Link  716 at Sun Sep 26 20:27:09 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.884040D+02  0.289009D+01  0.534894D+00
      2   0.289009D+01  0.799636D+02  0.130423D+01
      3   0.534894D+00  0.130423D+01  0.742029D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.119588D+00 -0.456368D+01  0.237634D+01
      2   0.189706D+01 -0.331556D+01  0.227318D+02
      3   0.642387D+01 -0.393258D+02  0.316055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.807177D+02 -0.192327D+02  0.571545D+01
      2  -0.326852D+02  0.180715D+02  0.384820D+01
      3  -0.480325D+02  0.116121D+01 -0.956365D+01
      4  -0.241212D+02  0.706517D+02 -0.845302D+01
      5  -0.428104D+00 -0.928432D+01  0.289851D+02
      6  -0.337709D+01 -0.209745D+01 -0.131621D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.106464D+01  0.516145D+01 -0.346268D+01  0.436854D+01 -0.670169D+00
      2   0.516145D+01 -0.104709D+01  0.471725D+00 -0.670169D+00 -0.330673D+01
      3  -0.346268D+01  0.471725D+00 -0.107377D+01  0.351447D+00 -0.128064D+01
                 6             7             8             9            10 
      1   0.351447D+00 -0.379399D+01  0.473488D+00 -0.122763D+01  0.120502D+00
      2  -0.128064D+01  0.473488D+00 -0.192236D+01  0.304890D+01 -0.454656D+01
      3   0.218851D+01 -0.122763D+01  0.304890D+01  0.547391D+01  0.219800D+01
                11            12            13            14            15 
      1  -0.454656D+01  0.219800D+01 -0.587378D+01  0.951170D+00 -0.215717D+00
      2   0.144067D+01 -0.304838D-01  0.951170D+00  0.481911D+01  0.862918D+00
      3  -0.304838D-01  0.146327D+01 -0.215717D+00  0.862918D+00 -0.164730D+01
                16            17            18            19            20 
      1   0.397968D+01 -0.705225D-01  0.207662D+01 -0.593365D+00  0.457409D+01
      2  -0.705225D-01  0.157132D+01 -0.210767D+01  0.457409D+01  0.496656D-01
      3   0.207662D+01 -0.210767D+01 -0.849709D+01 -0.244491D+01 -0.158557D+00
                21            22            23            24            25 
      1  -0.244491D+01  0.378879D+01 -0.114650D+01 -0.371018D+00 -0.295427D+01
      2  -0.158557D+00 -0.114650D+01 -0.383399D+01 -0.134349D+01  0.828039D-01
      3  -0.948841D+00 -0.371018D+00 -0.134349D+01  0.136838D+01 -0.151208D+01
                26            27            28            29            30 
      1   0.828039D-01 -0.151208D+01 -0.236345D+00 -0.287564D+00  0.350056D+01
      2  -0.202149D+01  0.100725D+01 -0.287564D+00  0.160348D+01  0.135987D+01
      3   0.100725D+01  0.675796D+01  0.350056D+01  0.135987D+01  0.192480D+01
                31            32            33            34            35 
      1   0.473779D+00  0.721189D+00  0.158211D+01  0.427790D+01  0.162750D+01
      2   0.721189D+00  0.146804D+00  0.146928D+01  0.162750D+01  0.225993D+01
      3   0.158211D+01  0.146928D+01  0.835533D+00  0.219597D+01  0.621814D+00
                36            37            38            39            40 
      1   0.219597D+01  0.531869D+01  0.179227D+01 -0.748927D+00  0.261379D+01
      2   0.621814D+00  0.179227D+01  0.678764D+00 -0.921879D+00  0.436143D+00
      3   0.255432D+00 -0.748927D+00 -0.921879D+00  0.110246D+01 -0.118802D+01
                41            42            43            44            45 
      1   0.436143D+00 -0.118802D+01  0.529926D+00 -0.407388D+00 -0.930330D+00
      2   0.106298D+01  0.100356D+01 -0.407388D+00  0.158649D+01  0.188666D+00
      3   0.100356D+01  0.835811D+00 -0.930330D+00  0.188666D+00  0.491285D+01
                46            47            48            49            50 
      1   0.318063D+00  0.397451D+01 -0.286156D+01  0.472393D+01 -0.137518D+01
      2   0.397451D+01 -0.411140D+00  0.484625D+00 -0.137518D+01 -0.578477D+01
      3  -0.286156D+01  0.484625D+00 -0.233264D+01  0.655406D+00 -0.148811D+01
                51            52            53            54            55 
      1   0.655406D+00 -0.436056D+01  0.310982D+00 -0.341766D+01  0.262518D+01
      2  -0.148811D+01  0.310982D+00 -0.154888D+01  0.167674D+01 -0.266330D+01
      3   0.193553D+01 -0.341766D+01  0.167674D+01  0.572794D+01  0.131568D+01
                56            57            58            59            60 
      1  -0.266330D+01  0.131568D+01 -0.113161D+01  0.256662D+01 -0.407603D+00
      2   0.219001D+01 -0.653789D+00  0.256662D+01  0.479896D+01  0.120339D+01
      3  -0.653789D+00  0.255517D+01 -0.407603D+00  0.120339D+01 -0.103544D+01
                61            62            63            64            65 
      1   0.186625D+01 -0.804356D+00  0.295864D+01 -0.695845D+01 -0.247076D+01
      2  -0.804356D+00  0.129487D+01 -0.809880D+00 -0.247076D+01 -0.246134D+01
      3   0.295864D+01 -0.809880D+00 -0.336048D+01 -0.421688D+01 -0.109383D+01
                66            67            68            69            70 
      1  -0.421688D+01 -0.281797D+01 -0.218775D+01 -0.116635D+01 -0.509447D+01
      2  -0.109383D+01 -0.218775D+01 -0.298486D+01 -0.275550D+01 -0.153069D+01
      3  -0.314815D+01 -0.116635D+01 -0.275550D+01 -0.174296D+01 -0.386768D+01
                71            72            73            74            75 
      1  -0.153069D+01 -0.386768D+01  0.530543D+00 -0.581859D+00 -0.914215D+00
      2  -0.334440D+01 -0.201240D+01 -0.581859D+00  0.395470D+00  0.294423D-01
      3  -0.201240D+01 -0.681897D+01 -0.914215D+00  0.294423D-01  0.952064D+00
                76            77            78            79            80 
      1  -0.691844D+00  0.215082D+00  0.418096D-01 -0.137554D+01  0.145302D+00
      2   0.215082D+00  0.384981D+00 -0.102176D+01  0.145302D+00 -0.140526D+01
      3   0.418096D-01 -0.102176D+01 -0.384676D+00  0.492521D+00  0.248136D-01
                81            82            83            84            85 
      1   0.492521D+00 -0.700292D+00  0.887034D+00  0.985728D+00  0.992651D+00
      2   0.248136D-01  0.887034D+00 -0.373951D+00 -0.566191D-01 -0.232300D+00
      3  -0.735085D+01  0.985728D+00 -0.566191D-01 -0.491461D+00 -0.393836D-01
                86            87            88            89            90 
      1  -0.232300D+00 -0.393836D-01  0.138918D+01 -0.934207D-01 -0.449799D+00
      2  -0.164935D+00  0.116043D+01 -0.934207D-01  0.166962D+01  0.932667D+00
      3   0.116043D+01  0.970848D+00 -0.449799D+00  0.932667D+00  0.848216D+01
                91            92            93            94            95 
      1  -0.725165D+01 -0.179729D+01  0.282921D+01 -0.254164D+01 -0.146880D+01
      2  -0.179729D+01 -0.138027D+01  0.719989D+00 -0.146880D+01 -0.986230D+00
      3   0.282921D+01  0.719989D+00 -0.232053D+01  0.109186D+01  0.826896D+00
                96            97            98            99           100 
      1   0.109186D+01  0.987425D+00  0.223649D+00 -0.103050D+01 -0.233146D+01
      2   0.826896D+00  0.223649D+00  0.414526D+00 -0.336067D+00  0.279686D+01
      3  -0.101214D+01 -0.103050D+01 -0.336067D+00  0.140423D+01 -0.121061D+01
               101           102           103           104           105 
      1   0.279686D+01 -0.121061D+01  0.239735D+01 -0.240435D+01  0.946135D+00
      2  -0.342467D+01  0.122359D+01 -0.240435D+01  0.446436D+01 -0.130994D+01
      3   0.122359D+01 -0.127777D+01  0.946135D+00 -0.130994D+01  0.120292D+01
               106           107           108           109           110 
      1  -0.208381D+01  0.161401D+01 -0.142760D+01 -0.278258D+00  0.840323D+00
      2   0.161401D+01 -0.289033D+01  0.173963D+01  0.840323D+00 -0.577852D+00
      3  -0.142760D+01  0.173963D+01 -0.175704D+01  0.412049D+00 -0.568465D+00
               111           112           113           114           115 
      1   0.412049D+00  0.687307D+00 -0.278466D+00 -0.477828D+00  0.136653D+01
      2  -0.568465D+00 -0.278466D+00  0.122823D+01  0.791865D+00 -0.656999D+00
      3  -0.100903D+01 -0.477828D+00  0.791865D+00  0.958218D+00 -0.128306D+01
               116           117           118           119           120 
      1  -0.656999D+00 -0.128306D+01  0.744320D+01 -0.180225D+01  0.256423D+01
      2   0.245625D+01  0.194866D+01 -0.180225D+01  0.131826D+01 -0.583552D+00
      3   0.194866D+01  0.526425D+01  0.256423D+01 -0.583552D+00  0.193747D+01
               121           122           123           124           125 
      1  -0.354923D+01  0.175737D+01 -0.860973D+00  0.416966D+01 -0.672130D+00
      2   0.175737D+01 -0.885271D+00  0.944235D+00 -0.672130D+00  0.116032D+01
      3  -0.860973D+00  0.944235D+00 -0.111062D+01  0.256219D+01 -0.851267D+00
               126           127           128           129           130 
      1   0.256219D+01  0.145655D+01 -0.411511D+00 -0.110590D+01 -0.109153D+01
      2  -0.851267D+00 -0.411511D+00  0.281960D+00  0.350407D-01  0.600396D+00
      3   0.171141D+01 -0.110590D+01  0.350407D-01  0.124005D+01  0.281557D+00
               131           132           133           134           135 
      1   0.600396D+00  0.281557D+00 -0.263149D+01 -0.729446D-01  0.278851D+01
      2   0.145083D+00 -0.869224D+00 -0.729446D-01 -0.127788D+01 -0.399937D+00
      3  -0.869224D+00 -0.102683D+01  0.278851D+01 -0.399937D+00 -0.731510D+01
               136           137           138           139           140 
      1   0.296637D+00  0.113460D+01  0.421395D+00  0.239994D+01  0.188316D+01
      2   0.113460D+01  0.103491D+01  0.641422D-01  0.188316D+01  0.806584D+01
      3   0.421395D+00  0.641422D-01  0.347026D+00  0.458219D-01  0.696033D+00
               141           142           143           144           145 
      1   0.458219D-01  0.836611D+00  0.175053D+00  0.738981D+00  0.460978D+01
      2   0.696033D+00  0.175053D+00  0.913028D+00  0.869683D+00 -0.331870D+01
      3   0.988039D+00  0.738981D+00  0.869683D+00 -0.106403D+00  0.191285D+01
               146           147           148           149           150 
      1  -0.331870D+01  0.191285D+01 -0.239079D+01  0.244033D+01 -0.844420D+00
      2   0.357173D+01 -0.115253D+01  0.244033D+01 -0.354727D+01  0.141242D+01
      3  -0.115253D+01  0.163944D+01 -0.844420D+00  0.141242D+01 -0.119214D+01
               151           152           153           154           155 
      1   0.227926D+01 -0.129030D+01  0.159399D+01 -0.567030D+01 -0.230594D+01
      2  -0.129030D+01  0.233258D+01 -0.177317D+01 -0.230594D+01 -0.326372D+01
      3   0.159399D+01 -0.177317D+01  0.139781D+01  0.143146D+01  0.702385D+00
               156           157           158           159           160 
      1   0.143146D+01 -0.171117D+01 -0.205069D+01  0.529719D+00  0.175246D+01
      2   0.702385D+00 -0.205069D+01 -0.247557D+01  0.894783D+00  0.661375D+00
      3  -0.109930D+01  0.529719D+00  0.894783D+00 -0.875669D+00 -0.943046D+00
               161           162           163           164           165 
      1   0.661375D+00 -0.943046D+00  0.236342D+00 -0.975399D+00 -0.605462D+00
      2   0.150102D+01 -0.122254D+01 -0.975399D+00  0.375112D+00  0.128904D+00
      3  -0.122254D+01  0.582477D+00 -0.605462D+00  0.128904D+00  0.539722D+00
               166           167           168           169           170 
      1  -0.646511D+00  0.242743D+00  0.454390D-01 -0.114076D+01  0.284589D+00
      2   0.242743D+00 -0.114671D+01 -0.119714D+01  0.284589D+00 -0.274937D+01
      3   0.454390D-01 -0.119714D+01 -0.125600D+01  0.681985D+00 -0.254590D+01
               171 
      1   0.681985D+00
      2  -0.254590D+01
      3  -0.676450D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.723681D+01  0.906231D+00 -0.192979D+01  0.426706D+00 -0.537579D+01
      2  -0.413581D+01  0.108595D+01  0.722035D+00  0.483688D+00 -0.117514D+01
      3  -0.955031D+01 -0.147127D+02  0.708256D+01 -0.783381D+01  0.558411D+01
                 6             7             8             9            10 
      1   0.302384D+01 -0.274330D+01  0.102446D+02  0.115897D+02 -0.287475D+00
      2   0.255782D+01 -0.337388D+01  0.366690D+01  0.654262D+01  0.344912D+01
      3   0.872693D+00  0.773625D+01  0.792450D+00 -0.149893D+01  0.763864D+01
                11            12            13            14            15 
      1  -0.710037D-01  0.378352D+00 -0.105029D+01  0.253692D+01 -0.308616D+01
      2  -0.410128D-01  0.500657D+01 -0.800787D+00  0.850948D+00 -0.233557D+01
      3  -0.351273D+01  0.138513D+00  0.283445D+01 -0.649858D+01 -0.139886D+01
                16            17            18            19            20 
      1   0.728982D+00  0.366919D+01 -0.279316D+01 -0.131379D+01 -0.176770D+01
      2  -0.201862D+01 -0.278879D+01 -0.112133D+02  0.348508D+01 -0.716994D-01
      3   0.178562D+01 -0.232337D+01  0.261765D+01 -0.146472D+01 -0.337979D+01
                21            22            23            24            25 
      1  -0.219714D+00 -0.165943D+01  0.262033D+01  0.124670D+00  0.800977D+00
      2   0.268130D+00  0.210563D+01 -0.354970D+00  0.221691D+00 -0.657191D+01
      3  -0.380838D+00  0.115411D+01 -0.470797D+01  0.214475D+01 -0.337997D+01
                26            27            28            29            30 
      1   0.508441D+01 -0.319504D+01 -0.217028D+01 -0.307742D+01  0.345293D+01
      2   0.314584D+00 -0.993851D+00 -0.422266D+01 -0.393940D+00  0.104320D+00
      3   0.205129D+01 -0.114354D+01 -0.891738D+01  0.506120D+01  0.967073D+00
                31            32            33            34            35 
      1   0.244640D+01 -0.102885D+01 -0.935661D+01  0.158461D+01 -0.515000D+01
      2   0.298632D+01 -0.176133D+01 -0.581784D+01 -0.135646D+01 -0.321503D+01
      3   0.193706D+02  0.121860D+02 -0.100236D+01 -0.626212D+00 -0.224806D+01
                36            37            38            39            40 
      1   0.345622D+01  0.205513D+01 -0.301837D+00 -0.281657D+00  0.277138D+00
      2  -0.229375D+01 -0.405181D+01 -0.990916D-01  0.802141D+00 -0.924817D+00
      3   0.943017D+00  0.358719D+01 -0.601481D+00 -0.159076D+01  0.524239D+00
                41            42            43            44            45 
      1   0.748806D+00 -0.392750D+00  0.558095D-01  0.532506D+01  0.620547D+00
      2  -0.345105D+01 -0.557537D+00 -0.619398D+01 -0.153654D+01 -0.883094D+01
      3   0.510264D+00  0.335249D+01  0.299615D+00  0.259915D+01  0.816395D+00
                46            47            48            49            50 
      1   0.123375D+01  0.492391D+00  0.771915D+00  0.134561D+01  0.203036D+01
      2  -0.994839D+01  0.139230D+01 -0.577695D+01  0.242780D+01 -0.449629D+01
      3  -0.104282D+02  0.138546D+01 -0.243674D+01  0.105813D+02  0.184664D+02
                51            52            53            54            55 
      1  -0.260553D+01  0.152306D+01  0.132896D+01 -0.287187D+01 -0.179898D+01
      2   0.513143D+01 -0.141162D+02  0.426354D+01  0.159292D+02  0.104537D+01
      3   0.398891D+01 -0.368028D+01  0.453592D+01 -0.656088D+01  0.689410D+01
                56            57            58            59            60 
      1   0.298789D+01 -0.733847D+01  0.231567D+01 -0.432432D+01 -0.251783D+01
      2   0.172830D+01  0.432156D+01 -0.315277D-01  0.387792D+00  0.123473D+01
      3  -0.122415D+02  0.185059D+01  0.201695D+01  0.597653D+01 -0.255056D+01
                61            62            63            64            65 
      1  -0.756900D+01  0.767320D+01  0.835885D+01  0.214947D+01  0.585369D+01
      2  -0.174600D+01  0.448556D+00 -0.979902D+00  0.312306D+00  0.113076D+00
      3   0.374903D+01 -0.209636D+01  0.725375D+01  0.248795D+01 -0.714632D+01
                66            67            68            69            70 
      1  -0.265494D+01 -0.617075D+00  0.232707D+01 -0.114187D+01  0.334817D+00
      2   0.853000D+01 -0.346513D+01  0.402711D+01  0.503934D+01 -0.176751D+01
      3  -0.722690D+00 -0.337888D+01 -0.818656D+01 -0.245030D+01 -0.401016D-01
                71            72            73            74            75 
      1   0.779238D+01 -0.195813D+01  0.103414D+01 -0.351065D+00 -0.345178D+00
      2   0.333421D+01  0.112429D+02  0.572306D+00 -0.543563D+00  0.752568D+00
      3  -0.159892D+01 -0.229962D+01  0.576890D+00 -0.786415D+00 -0.579135D+00
                76            77            78            79            80 
      1   0.668918D-03  0.435151D+00 -0.235793D+00 -0.585788D+00  0.350588D+01
      2  -0.767117D+00  0.274380D+00 -0.774278D-01 -0.379370D+01  0.259753D+00
      3   0.112109D+01  0.310000D-01 -0.112342D+00 -0.448107D+00  0.152619D+00
                81            82            83            84            85 
      1   0.366575D+01  0.100886D+01 -0.635896D+00 -0.187579D+00 -0.183822D+00
      2   0.890585D+00  0.257573D+01 -0.619175D+00 -0.499052D+00 -0.110944D+01
      3  -0.645361D-01 -0.902240D+00 -0.812302D+00 -0.300532D+00  0.130990D+01
                86            87            88            89            90 
      1   0.633942D+00 -0.407196D+00 -0.601949D+00  0.413286D+01  0.242471D+01
      2   0.186417D+01  0.121829D+01 -0.475976D+01  0.153281D+01  0.107051D+02
      3   0.173486D+00 -0.125439D+01 -0.146010D+00 -0.159078D+01 -0.687986D+00
                91            92            93            94            95 
      1  -0.143066D+01 -0.177099D+01 -0.823490D-01 -0.128573D+01 -0.139177D+01
      2   0.277810D+01  0.481964D+00  0.290743D+01  0.966354D+00 -0.192396D+00
      3  -0.186477D+01 -0.389563D+01  0.109619D+01 -0.154628D+01 -0.265073D+01
                96            97            98            99           100 
      1  -0.114214D+00  0.614658D+00  0.729002D+00 -0.395575D+00  0.262419D+01
      2   0.133499D+01 -0.439773D+00  0.979125D-01 -0.628766D+00 -0.148893D+01
      3   0.858973D+00  0.560649D+00  0.842535D+00 -0.505175D+00 -0.671467D+01
               101           102           103           104           105 
      1  -0.256188D+01  0.416066D+01 -0.246525D+01  0.214001D+01 -0.347823D+01
      2  -0.120885D+00  0.847300D+00  0.219161D+00  0.358832D-01 -0.709586D+00
      3   0.473149D+01 -0.298057D+01  0.744438D+01 -0.493131D+01  0.261113D+01
               106           107           108           109           110 
      1   0.348455D+01 -0.224754D+01  0.363828D+01 -0.116357D+01  0.109252D+01
      2  -0.119578D+01 -0.255116D+00  0.430084D+00  0.762634D+00  0.484167D-01
      3  -0.589268D+01  0.346819D+01 -0.377850D+01 -0.821652D+00  0.859525D+00
               111           112           113           114           115 
      1   0.343445D+01  0.109727D+01 -0.230244D+01 -0.264789D+01  0.370329D+01
      2  -0.102957D+00  0.166243D+00 -0.577630D-01 -0.131418D+00 -0.260642D+01
      3   0.822056D+00  0.191251D+01 -0.942108D+00 -0.122875D+01  0.366143D+01
               116           117           118           119           120 
      1  -0.293192D+01 -0.135759D+02 -0.646239D+00  0.724119D+00 -0.850587D-02
      2   0.916102D-01  0.509653D+00  0.680496D+01 -0.201341D+01  0.798035D+01
      3  -0.141113D+01 -0.379247D+01  0.722182D+01 -0.695734D+01  0.302458D+01
               121           122           123           124           125 
      1  -0.140913D-01 -0.751550D+00 -0.568559D+00 -0.426537D+00  0.167700D+01
      2  -0.218997D+01  0.265808D+01 -0.431730D+01  0.572252D+01 -0.272325D+01
      3  -0.479346D+01  0.408336D+01 -0.287186D+01  0.314384D+01 -0.467303D+01
               126           127           128           129           130 
      1  -0.389661D-01  0.603134D+00 -0.432011D+00 -0.801128D+00 -0.561891D-01
      2   0.555067D+01 -0.270536D+01  0.351163D-01  0.475056D+01  0.155692D+00
      3   0.347999D+01  0.167032D+01 -0.196694D+01 -0.686730D+00 -0.958957D+00
               131           132           133           134           135 
      1   0.672760D+00 -0.253317D+00 -0.995678D+00  0.338963D+01  0.316423D+01
      2  -0.217844D+01 -0.287475D+01  0.408746D+01 -0.143296D+01 -0.212334D+02
      3  -0.157880D+00  0.204028D+01 -0.514734D+00  0.426789D+01  0.276304D+01
               136           137           138           139           140 
      1  -0.233593D+00 -0.270346D+00 -0.627569D+00 -0.990487D-01 -0.865958D+00
      2   0.133980D+01  0.201059D-01  0.131888D+01 -0.144524D+00  0.225793D+01
      3  -0.337229D+01 -0.224065D+01  0.450319D-01  0.195768D+00 -0.238926D+02
               141           142           143           144           145 
      1  -0.284616D+01 -0.612054D+00  0.479996D+00  0.864755D-01  0.368626D+01
      2   0.347940D+01  0.567080D+00  0.228351D+01 -0.440462D+00  0.117411D+01
      3  -0.213023D+01  0.399575D+00 -0.259837D+01 -0.157820D+01 -0.654344D+01
               146           147           148           149           150 
      1  -0.130632D+01  0.457690D+01 -0.167269D+01  0.219053D+01 -0.372111D+01
      2  -0.113440D+01  0.354331D+01 -0.382784D+00  0.142619D+01 -0.216466D+01
      3   0.204358D-01 -0.273819D+01  0.445674D+01 -0.263063D+00  0.380885D+00
               151           152           153           154           155 
      1   0.312104D+01 -0.171832D+01  0.286283D+01  0.301284D+01  0.459466D+00
      2   0.301221D+00 -0.198385D+01  0.195185D+01  0.311066D+01  0.712466D+00
      3  -0.423820D+01 -0.902913D+00 -0.102147D+01  0.180016D+02  0.558241D+01
               156           157           158           159           160 
      1  -0.340183D+01  0.719024D+00  0.120257D+01 -0.275591D+01 -0.227534D+01
      2   0.446144D+00  0.657971D+00  0.113251D+01  0.263047D-01 -0.267417D+01
      3  -0.409067D+01  0.759774D+01  0.601996D+01 -0.210812D+01 -0.508006D+01
               161           162           163           164           165 
      1  -0.986324D+00  0.106534D+01 -0.112638D+01  0.301569D-01  0.110351D+01
      2  -0.112501D+01  0.375029D+00 -0.594427D+00  0.794330D-01  0.118729D+01
      3  -0.222297D+01  0.320650D+01  0.104903D+01  0.626180D+00  0.826433D+00
               166           167           168           169           170 
      1   0.212362D+00 -0.215774D+01 -0.412902D+01  0.130994D+01 -0.201101D+01
      2  -0.352769D+00 -0.124761D+01 -0.125792D+01 -0.226200D+01 -0.269053D+01
      3   0.218952D+01  0.657407D+00  0.112494D+01  0.271035D+01  0.295588D+01
               171 
      1  -0.154504D+02
      2  -0.778054D+01
      3   0.185097D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.104616D+02  0.118520D+02 -0.820509D+01  0.902132D+01 -0.117255D+02
      2  -0.180602D+02 -0.442133D+01  0.337182D+01 -0.304875D+01  0.156110D+02
      3   0.759856D+01 -0.743064D+01  0.483328D+01 -0.597258D+01 -0.388550D+01
      4   0.816594D+01 -0.216606D+02  0.140578D+02 -0.187861D+02 -0.308597D+01
      5  -0.771214D+01  0.646417D+01 -0.529543D+01  0.432231D+01 -0.367822D+01
      6   0.170150D+02 -0.193072D+01  0.447079D+01 -0.178702D+01  0.815695D+01
                 6             7             8             9            10 
      1  -0.838515D+00 -0.901344D+01  0.934715D-01  0.505452D+01 -0.131406D+02
      2   0.554637D+01  0.264452D+01  0.697282D+01 -0.524971D+01  0.969960D+01
      3  -0.470786D+01  0.636893D+01 -0.706629D+01  0.195192D+00  0.344100D+01
      4  -0.421228D+01  0.134613D+02 -0.624563D+01  0.104374D+02 -0.131845D+02
      5   0.571947D+01 -0.639148D+01  0.804477D+01  0.127858D+02  0.624071D+01
      6  -0.962733D+01  0.526181D+01 -0.139679D+02 -0.205218D+02 -0.260440D+01
                11            12            13            14            15 
      1  -0.143366D+02  0.461083D+01 -0.169311D+02  0.111200D+02  0.191860D+01
      2   0.738424D+01 -0.473164D+01  0.987762D+01 -0.130062D+02 -0.267770D-01
      3   0.695239D+01  0.120811D+00  0.705352D+01  0.188613D+01 -0.189182D+01
      4   0.498120D+01 -0.125990D+01  0.534494D+01  0.929411D+01  0.213235D+01
      5  -0.196344D+00  0.304916D+01 -0.248896D+00  0.206819D+01 -0.501359D+01
      6   0.593127D+00 -0.100690D+01  0.934019D+00 -0.221037D+01  0.108840D+00
                16            17            18            19            20 
      1   0.100388D+02  0.259255D+01  0.104776D+02 -0.134293D+02 -0.477657D+01
      2  -0.525275D+01 -0.103732D+00  0.632563D+01  0.137915D+02  0.844774D+01
      3  -0.478609D+01 -0.248882D+01 -0.168033D+02 -0.362179D+00 -0.367117D+01
      4  -0.171275D+01  0.277134D+01 -0.499005D+01  0.194034D+01  0.210186D+01
      5   0.853554D+01 -0.430156D+01 -0.198760D+02  0.639178D+01  0.116029D+01
      6  -0.717809D+00  0.494479D+01  0.521382D+00  0.141449D+01 -0.159559D+00
                21            22            23            24            25 
      1   0.218142D+01  0.579185D+01  0.930490D+01  0.551478D+01 -0.425682D+01
      2  -0.289272D+01 -0.458861D+01 -0.176993D+02 -0.282540D+01 -0.344517D+00
      3   0.711301D+00 -0.120324D+01  0.839442D+01 -0.268938D+01  0.460134D+01
      4   0.250623D+01 -0.912450D+01 -0.158760D+00  0.155181D+01  0.116675D+01
      5  -0.504290D+00  0.325163D+01  0.398147D+01  0.341839D+00  0.287433D+00
      6   0.466104D+00  0.170380D+01 -0.887185D+00 -0.242345D+01 -0.278352D+00
                26            27            28            29            30 
      1   0.418105D+01  0.642439D+01 -0.712447D+01  0.804117D+00 -0.787930D+01
      2  -0.508433D+01  0.866986D+01  0.820222D+01 -0.986361D+00  0.598667D+01
      3   0.903287D+00 -0.150943D+02 -0.107775D+01  0.182244D+00  0.189262D+01
      4  -0.318741D+01  0.243976D+00 -0.486424D+01 -0.499101D+01 -0.642148D+01
      5   0.776314D+00  0.223529D+01 -0.178621D+02 -0.737957D+01 -0.176304D+02
      6   0.179374D+01  0.637786D+01 -0.484032D+01 -0.341515D+01 -0.552903D+01
                31            32            33            34            35 
      1  -0.288968D+01 -0.286472D+01 -0.438290D+01 -0.172547D+02 -0.704657D+01
      2  -0.928230D-01  0.531965D+01  0.505858D+01  0.779297D+01  0.238603D-01
      3   0.298250D+01 -0.245493D+01 -0.675680D+00  0.946177D+01  0.702271D+01
      4   0.349895D+01 -0.941745D+01 -0.278363D+01 -0.111105D+02 -0.514689D+01
      5  -0.106247D+02 -0.592967D+01 -0.999340D+01 -0.189484D+02 -0.341513D+01
      6  -0.154400D+01 -0.514242D+01  0.466155D+00 -0.758738D+00 -0.764867D+01
                36            37            38            39            40 
      1  -0.428530D+01 -0.161803D+02 -0.736772D+01  0.358645D+01 -0.114187D+02
      2   0.693047D+01  0.701659D+01  0.324941D+01 -0.682323D+00  0.700039D+01
      3  -0.264516D+01  0.916370D+01  0.411830D+01 -0.290413D+01  0.441831D+01
      4  -0.352850D+01 -0.111406D+02  0.173784D+00  0.516705D+01 -0.161352D+00
      5  -0.524192D+01  0.966250D+01  0.731013D+01  0.158417D+01  0.877539D+01
      6  -0.268188D+01  0.532980D+01  0.795146D+00 -0.196017D+01  0.184994D+01
                41            42            43            44            45 
      1  -0.586198D+01  0.492906D+01  0.124043D+01  0.116537D+01 -0.111602D+02
      2   0.478859D+01 -0.419100D+01  0.389103D+01  0.197365D+01 -0.111664D+02
      3   0.107340D+01 -0.738053D+00 -0.513146D+01 -0.313902D+01  0.223266D+02
      4  -0.357588D+01 -0.435424D+01  0.416433D+01 -0.351769D+01 -0.326616D+01
      5  -0.309385D+01 -0.405120D+01  0.108741D+02 -0.252026D+01 -0.208311D+02
      6   0.152005D+01  0.589150D+01 -0.244944D+01  0.810897D+01 -0.152166D+01
                46            47            48            49            50 
      1  -0.981922D+00  0.236921D+02 -0.189249D+02  0.273998D+02 -0.388946D+01
      2   0.160516D+01 -0.144752D+02  0.905554D+01 -0.178427D+02 -0.438580D+01
      3  -0.623238D+00 -0.921692D+01  0.986933D+01 -0.955704D+01  0.827526D+01
      4   0.233857D+02 -0.278017D+01  0.247820D+01 -0.720278D+01 -0.267401D+02
      5  -0.209429D+02  0.332882D+01 -0.144924D+02  0.445511D+01 -0.967916D+01
      6  -0.146587D+00 -0.348665D+00  0.110810D+00 -0.157855D+01 -0.253066D+01
                51            52            53            54            55 
      1   0.613407D+01 -0.246431D+02  0.359419D+01 -0.132483D+02  0.169081D+02
      2  -0.337239D+01  0.990476D+01 -0.180651D+01  0.155131D+02 -0.156415D+02
      3  -0.276168D+01  0.147384D+02 -0.178768D+01 -0.226483D+01 -0.126662D+01
      4  -0.765772D+01  0.324545D+01 -0.643982D+01  0.894988D+01  0.773886D+01
      5   0.112624D+02 -0.218603D+02  0.973205D+01  0.301768D+02 -0.256072D+01
      6   0.102493D+01  0.331424D+00 -0.854091D+00  0.166162D+01  0.571203D+01
                56            57            58            59            60 
      1  -0.336061D+01 -0.788327D-01 -0.682530D+01 -0.193660D+02 -0.417906D+01
      2   0.677455D+01 -0.230165D+01  0.126685D+02  0.325724D+02  0.522444D+01
      3  -0.341395D+01  0.238048D+01 -0.584322D+01 -0.132064D+02 -0.104538D+01
      4  -0.628052D+01  0.414558D+01  0.118284D+01  0.124752D+02 -0.402481D+01
      5   0.224330D+01  0.895678D+00 -0.587674D-01 -0.356568D+01  0.186952D+01
      6  -0.455129D+01  0.116132D+02 -0.506290D+01  0.580473D+01  0.142353D+01
                61            62            63            64            65 
      1   0.178625D+01 -0.124029D+01  0.151419D+01  0.380601D+02  0.820970D+01
      2  -0.253078D+01  0.590120D+01 -0.159246D+01 -0.248225D+02 -0.391339D+01
      3   0.744533D+00 -0.466091D+01  0.782765D-01 -0.132375D+02 -0.429631D+01
      4   0.465787D+01 -0.336614D+01  0.107778D+02  0.130925D+02  0.151984D+02
      5   0.215377D+01  0.375994D+01  0.506159D+00  0.281850D+02  0.685991D+01
      6   0.144952D+02 -0.819996D+00 -0.133997D+02  0.525971D+01  0.616613D+01
                66            67            68            69            70 
      1   0.136536D+02  0.480841D+01  0.574499D-01 -0.168109D+00  0.159202D+02
      2  -0.116888D+02 -0.372851D+00  0.597612D+01  0.319064D+00 -0.155753D+02
      3  -0.196482D+01 -0.443556D+01 -0.603357D+01 -0.150956D+00 -0.344856D+00
      4   0.682901D+01  0.168321D+02  0.172360D+02  0.113327D+02  0.813133D+01
      5   0.272903D+02  0.839216D+01  0.128956D+02  0.108672D+02  0.282872D+02
      6   0.503427D+01  0.506901D+01  0.891197D+01  0.113748D+02  0.544213D+01
                71            72            73            74            75 
      1   0.207887D+01  0.206968D+01  0.936510D+00 -0.445327D-01 -0.789553D-02
      2  -0.281765D+01 -0.145337D+02 -0.426712D+01  0.231679D-01  0.141111D+01
      3   0.738776D+00  0.124640D+02  0.333061D+01  0.213648D-01 -0.140321D+01
      4   0.104840D+02  0.793240D+01  0.646866D+00  0.144405D+01 -0.123475D+01
      5   0.973168D+01  0.345056D+02 -0.239780D+01 -0.305702D+00  0.623930D+01
      6   0.118325D+02  0.881797D+01 -0.128593D+01 -0.772854D+00  0.789767D+00
                76            77            78            79            80 
      1   0.174718D+00 -0.394131D+01 -0.429401D+00  0.547855D+00  0.148613D+01
      2   0.170389D+00  0.107734D+01 -0.157762D+01  0.191971D+01 -0.221076D+01
      3  -0.345107D+00  0.286397D+01  0.200702D+01 -0.246756D+01  0.724623D+00
      4   0.190074D+01 -0.225547D+00 -0.631753D+00 -0.646403D+00  0.817846D-02
      5  -0.170906D-01 -0.102741D+01 -0.658697D+00  0.435378D+01  0.317000D+00
      6  -0.584517D+00 -0.374402D+00  0.567458D+01  0.226443D+00  0.402122D+01
                81            82            83            84            85 
      1  -0.155596D+02  0.161692D+01  0.229180D+01  0.269822D+01  0.293161D+01
      2  -0.143544D+02 -0.447937D+01 -0.747157D+00  0.190161D+00 -0.156291D+01
      3   0.299141D+02  0.286245D+01 -0.154464D+01 -0.288838D+01 -0.136870D+01
      4   0.859445D+00  0.210321D+01  0.745018D+00  0.925332D-01  0.127984D+01
      5  -0.302779D+01  0.698291D+00  0.253883D+00  0.507714D+01 -0.122301D-01
      6  -0.727875D+01  0.123539D+00 -0.422951D+00 -0.439591D+00 -0.280759D+00
                86            87            88            89            90 
      1  -0.481921D+01 -0.163389D+01  0.434929D+01 -0.853951D+00 -0.173513D+02
      2   0.149741D+01 -0.113346D+01 -0.140821D+01 -0.247357D+01 -0.154722D+02
      3   0.332180D+01  0.276735D+01 -0.294108D+01  0.332752D+01  0.328235D+02
      4  -0.475020D+00  0.218943D+01  0.488277D+00  0.294714D+01  0.251257D+01
      5   0.242253D+01  0.204138D+01  0.275314D+01  0.197200D+01  0.178933D+02
      6   0.194603D+01  0.687823D+01  0.108598D+00  0.390319D+01  0.188601D+00
                91            92            93            94            95 
      1   0.341996D+02  0.766219D+01 -0.110941D+02  0.920399D+01  0.447956D+01
      2  -0.197655D+02 -0.401191D+01  0.826691D+01 -0.422349D+01 -0.998868D+00
      3  -0.144341D+02 -0.365028D+01  0.282720D+01 -0.498050D+01 -0.348069D+01
      4   0.102028D+02  0.695321D+01 -0.407360D+01  0.982224D+01  0.572084D+01
      5  -0.224320D+02 -0.567218D+01  0.139799D+02 -0.815370D+01 -0.530026D+01
      6  -0.500357D+01 -0.304605D+01  0.279143D+01 -0.398922D+01 -0.281992D+01
                96            97            98            99           100 
      1  -0.343240D+01 -0.149259D+01 -0.275639D-01  0.257380D+01 -0.237304D+01
      2   0.256535D+01  0.354256D+01  0.850641D+00 -0.402437D+01  0.851927D+01
      3   0.867053D+00 -0.204997D+01 -0.823077D+00  0.145057D+01 -0.614623D+01
      4  -0.411793D+01 -0.101270D+01 -0.104560D+01  0.165469D+01 -0.116625D+02
      5   0.556607D+01  0.755291D+01  0.204549D+01 -0.736911D+01  0.353137D+01
      6   0.307870D+01  0.133503D+01  0.148502D+01 -0.169402D+01 -0.711473D+01
               101           102           103           104           105 
      1   0.683072D+01 -0.205745D+01  0.453991D+01 -0.106898D+02  0.329390D+01
      2  -0.141151D+02  0.400380D+01 -0.993342D+01  0.199348D+02 -0.589001D+01
      3   0.728435D+01 -0.194635D+01  0.539351D+01 -0.924494D+01  0.259611D+01
      4   0.159745D+02 -0.624933D+01  0.135572D+02 -0.128510D+02  0.523778D+01
      5  -0.329132D+01  0.391211D+01 -0.152403D+01  0.291848D+01 -0.175423D+01
      6   0.845632D+01 -0.761237D+01  0.646800D+01 -0.882031D+01  0.765913D+01
               106           107           108           109           110 
      1  -0.346029D+01  0.643967D+01 -0.532775D+01 -0.190249D+01  0.167819D+01
      2   0.473813D+01 -0.913722D+01  0.432510D+01  0.245441D+01 -0.216578D+01
      3  -0.127784D+01  0.269754D+01  0.100265D+01 -0.551922D+00  0.487584D+00
      4  -0.855988D+01  0.784530D+01 -0.673778D+01 -0.118257D+01  0.462348D+01
      5   0.381940D+01 -0.315847D+01  0.336912D+01 -0.129868D+01  0.802451D+00
      6  -0.796858D+01  0.110050D+02 -0.920123D+01  0.131989D+01 -0.355128D+01
               111           112           113           114           115 
      1   0.200582D+01  0.590903D+00 -0.402252D+01 -0.222456D+01  0.142462D+01
      2  -0.159826D+01 -0.100796D+01  0.540667D+01  0.312397D+01 -0.129086D+01
      3  -0.407556D+00  0.417059D+00 -0.138415D+01 -0.899409D+00 -0.133761D+00
      4   0.167911D+01  0.413393D+01 -0.172670D+01 -0.255499D+01  0.503114D+01
      5   0.262304D+01  0.383055D+00 -0.131821D+01 -0.108921D+01  0.246734D+01
      6  -0.527083D+01 -0.287987D+01  0.369195D+01  0.681615D+01 -0.621197D+01
               116           117           118           119           120 
      1  -0.716247D+01 -0.899198D+01  0.549896D+02 -0.119102D+02  0.172268D+02
      2   0.802398D+01  0.153091D+01 -0.302295D+02  0.613211D+01 -0.103527D+02
      3  -0.861516D+00  0.746106D+01 -0.247601D+02  0.577804D+01 -0.687413D+01
      4  -0.359881D+01 -0.474905D+01 -0.117115D+02  0.105796D+02 -0.384185D+01
      5  -0.190995D+01 -0.368560D+01  0.202084D+02 -0.462051D+01  0.159608D+02
      6   0.103410D+02  0.234141D+02 -0.271897D+00  0.622247D+00  0.550023D-01
               121           122           123           124           125 
      1  -0.218077D+02  0.841452D+01 -0.502616D+01  0.250619D+02 -0.365403D+01
      2   0.116690D+02 -0.225691D+01  0.311944D+01 -0.154301D+02  0.241839D+01
      3   0.101388D+02 -0.615761D+01  0.190672D+01 -0.963183D+01  0.123564D+01
      4   0.131770D+02 -0.767739D+01  0.606558D+01 -0.475131D+01  0.743506D+01
      5  -0.703769D+01  0.628589D+01 -0.812137D+01  0.200813D+02 -0.594571D+01
      6   0.153332D+01 -0.147390D+01  0.190369D+01 -0.685341D+00  0.225699D+01
               126           127           128           129           130 
      1   0.124644D+02  0.916915D+01 -0.273312D+01 -0.613025D+01 -0.603767D+01
      2  -0.113196D+02 -0.770806D+01  0.179534D+01  0.524331D+01  0.396865D+01
      3  -0.114470D+01 -0.146109D+01  0.937784D+00  0.886932D+00  0.206902D+01
      4  -0.515178D+01 -0.228160D+01  0.281209D+01  0.131890D+00  0.445221D+01
      5   0.136275D+02 -0.781786D+01  0.552118D+00  0.128733D+02  0.222523D+01
      6  -0.129175D+01  0.102409D+00 -0.157963D+00  0.794767D+00 -0.150356D+01
               131           132           133           134           135 
      1   0.466914D+00 -0.525950D-01 -0.124263D+02 -0.943929D+00  0.330162D+01
      2  -0.352023D+00 -0.126172D+01  0.114732D+02 -0.194745D+00 -0.181764D+02
      3  -0.114891D+00  0.131432D+01  0.953067D+00  0.113867D+01  0.148748D+02
      4   0.414325D+00 -0.491589D+01 -0.664634D+00 -0.722889D+01 -0.294906D+01
      5  -0.460339D+01 -0.572026D+01  0.212039D+02 -0.279908D+01 -0.428469D+02
      6   0.142888D+01  0.411554D+01  0.314570D+00  0.453482D+01 -0.198204D+01
               136           137           138           139           140 
      1   0.227192D+01  0.403628D+01  0.260408D+01  0.115514D+02 -0.986916D+00
      2   0.171059D+01  0.590433D+00 -0.126076D+01 -0.314266D+01  0.159810D+02
      3  -0.398251D+01 -0.462671D+01 -0.134332D+01 -0.840871D+01 -0.149941D+02
      4   0.568367D+01  0.108071D+02  0.654043D+00  0.157110D+02  0.413837D+02
      5   0.255095D+01  0.311816D+00  0.282873D+01  0.251356D+00  0.483953D+01
      6   0.351151D+00 -0.126452D+00  0.769837D+00  0.799931D+00  0.210908D+01
               141           142           143           144           145 
      1  -0.102533D+01  0.464434D+01 -0.797084D+00  0.927874D+00  0.136871D+02
      2   0.154224D+01 -0.206748D+01  0.117629D+01 -0.101926D+01  0.120549D+01
      3  -0.516906D+00 -0.257686D+01 -0.379210D+00  0.913902D-01 -0.148926D+02
      4   0.392229D+01  0.132582D+01  0.432777D+01  0.397016D+01 -0.274874D+02
      5   0.629257D+01  0.542339D+01  0.466595D+01 -0.734515D+00  0.957793D+01
      6   0.464405D+01  0.109246D+01  0.543608D+01  0.146313D+01 -0.986953D+01
               146           147           148           149           150 
      1  -0.307097D+01  0.348339D+01 -0.201753D+01 -0.298103D+01  0.172482D+01
      2  -0.929758D+01 -0.123875D+00 -0.732960D+01  0.152244D+02 -0.514304D+01
      3   0.123685D+02 -0.335951D+01  0.934713D+01 -0.122434D+02  0.341822D+01
      4   0.247657D+02 -0.107139D+02  0.191534D+02 -0.206779D+02  0.768530D+01
      5  -0.610421D+01  0.858913D+01 -0.393932D+01  0.590050D+01 -0.451311D+01
      6   0.744944D+01 -0.906411D+01  0.578339D+01 -0.917695D+01  0.834289D+01
               151           152           153           154           155 
      1   0.435868D+01  0.259629D+01 -0.863703D+00 -0.852430D+01 -0.136934D+02
      2  -0.726957D+00 -0.718604D+01  0.971820D+00  0.105045D+02  0.175564D+02
      3  -0.363172D+01  0.458974D+01 -0.108117D+00 -0.198016D+01 -0.386299D+01
      4  -0.122991D+02  0.113157D+02 -0.102194D+02  0.163911D+02  0.856212D+01
      5   0.894448D+01 -0.696029D+01  0.733360D+01 -0.111113D+01 -0.146219D+01
      6  -0.827819D+01  0.108060D+02 -0.789335D+01 -0.758322D+01 -0.498321D+01
               156           157           158           159           160 
      1   0.468632D+01 -0.929927D+01 -0.110743D+02  0.363470D+01  0.496752D+01
      2  -0.343186D+01  0.121049D+02  0.162619D+02 -0.462529D+01 -0.295726D+01
      3  -0.125446D+01 -0.280561D+01 -0.518759D+01  0.990594D+00 -0.201026D+01
      4  -0.509328D+01  0.914319D+01  0.624368D+01 -0.155913D+01 -0.580274D+01
      5   0.198085D+01 -0.513470D+00 -0.252489D+00 -0.276627D+00  0.275899D+01
      6   0.625608D+01 -0.371035D+01 -0.557402D+01  0.594792D+01  0.489150D+01
               161           162           163           164           165 
      1   0.545611D+01 -0.573727D+01 -0.772229D+00 -0.190991D+01 -0.164599D+01
      2  -0.672987D+01  0.346588D+01  0.132848D+01  0.253645D+00  0.117865D+01
      3   0.127376D+01  0.227139D+01 -0.556254D+00  0.165627D+01  0.467333D+00
      4  -0.742380D+00  0.174475D+01 -0.294599D+01  0.595370D+01  0.245087D+01
      5  -0.686253D+00 -0.179686D+01 -0.237673D+01  0.104936D+01  0.524165D+01
      6   0.756299D+01 -0.350991D+01  0.209217D+01 -0.616272D+00 -0.226910D+01
               166           167           168           169           170 
      1  -0.713589D+00 -0.492963D+01 -0.462650D+01 -0.214922D+01 -0.882730D+01
      2  -0.460155D+00  0.566588D+01  0.528624D+01  0.132075D+01  0.953408D+01
      3   0.117374D+01 -0.736252D+00 -0.659740D+00  0.828465D+00 -0.706777D+00
      4   0.448914D+01 -0.326601D+01 -0.277002D+01  0.488777D+01 -0.661526D+01
      5   0.736983D-01 -0.286380D+01 -0.276881D+01  0.610744D+01 -0.645840D+01
      6  -0.685765D+00  0.674474D+01  0.109030D+02 -0.326071D+01  0.152221D+02
               171 
      1  -0.117512D+02
      2  -0.292781D+00
      3   0.120440D+02
      4  -0.749131D+01
      5  -0.164886D+02
      6   0.298356D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x         -0.368312D-01     -0.936155D-01     -0.312268D+00
   y          0.177371D+00      0.450833D+00      0.150382D+01
   z          0.626202D+00      0.159165D+01      0.530916D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822268D+02      0.121848D+02      0.135574D+02
   yx         0.249082D+01      0.369102D+00      0.410681D+00
   yy         0.741808D+02      0.109925D+02      0.122308D+02
   zx         0.335195D+00      0.496708D-01      0.552662D-01
   zy         0.107135D+01      0.158758D+00      0.176643D+00
   zz         0.688386D+02      0.102008D+02      0.113500D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808568D+02      0.119817D+02      0.133315D+02
   aniso      0.135672D+02      0.201045D+01      0.223692D+01
   xx         0.884040D+02      0.131001D+02      0.145758D+02
   yx         0.289009D+01      0.428267D+00      0.476511D+00
   yy         0.799636D+02      0.118494D+02      0.131842D+02
   zx         0.534894D+00      0.792632D-01      0.881922D-01
   zy         0.130423D+01      0.193267D+00      0.215039D+00
   zz         0.742029D+02      0.109957D+02      0.122344D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.99249768         -3.18249876         -0.90290510
     6          2.19035984         -0.57923332          0.33502886
     6         -0.00297730          1.15458809         -0.47444508
     6         -2.54686049         -0.15953132         -0.20984605
     8         -3.08485596         -0.72810269          2.23433408
     6          4.72544855          0.66250633         -0.26853606
     7          0.07337461          3.54723126          0.90648257
     8         -3.98833187         -0.62544017         -1.90605006
     1          0.19208718          1.57229809         -2.48495053
     1          2.04251315         -0.82123374          2.38570254
     1         -4.74195086         -1.51021113          2.24867232
     1         -1.22090478          4.77874195          0.21945608
     1         -0.32365726          3.26132185          2.75883173
     1          6.27998206         -0.48838600          0.44798414
     1          4.97063072          0.84937966         -2.31194813
     1          4.85303910          2.53884446          0.56403237
     1          3.58435338         -4.36532922         -0.33999176
     1          0.26222133         -4.17119614         -0.37366216
     1          2.02275779         -3.02151071         -2.96153797

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.651879D+00      0.165691D+01      0.552686D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.651879D+00      0.165691D+01      0.552686D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.750821D+02      0.111260D+02      0.123794D+02
   aniso      0.125958D+02      0.186650D+01      0.207676D+01
   xx         0.822613D+02      0.121899D+02      0.135631D+02
   yx         0.250318D+01      0.370933D+00      0.412719D+00
   yy         0.732610D+02      0.108562D+02      0.120791D+02
   zx         0.276661D+00      0.409969D-01      0.456152D-01
   zy         0.218132D+01      0.323238D+00      0.359650D+00
   zz         0.697239D+02      0.103320D+02      0.114959D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.808568D+02      0.119817D+02      0.133315D+02
   aniso      0.135672D+02      0.201045D+01      0.223692D+01
   xx         0.884649D+02      0.131091D+02      0.145859D+02
   yx         0.285430D+01      0.422963D+00      0.470610D+00
   yy         0.788960D+02      0.116912D+02      0.130082D+02
   zx         0.536200D+00      0.794566D-01      0.884074D-01
   zy         0.247225D+01      0.366350D+00      0.407620D+00
   zz         0.752095D+02      0.111449D+02      0.124004D+02

 ----------------------------------------------------------------------
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 MY DESCRIPTION OF EXPERIENCE IS NOT WHAT HAPPENS
 TO A MAN.  EXPERIENCE IS WHAT A MAN DOES WITH WHAT
 HAPPENS TO HIM.
                         - CHUCK KNOX, SEATTLE SEAHAWKS, 1985
 Job cpu time:       0 days  4 hours 52 minutes 41.0 seconds.
 Elapsed time:       0 days  0 hours 36 minutes 37.7 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:27:10 2021.
